2-N-丁基-1-环己醇 | 36159-49-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-N-丁基-1-环己醇
• 中文别名: 2-丁基环己醇
• 英文名称: 2-n-butylcyclohexanol
• 英文别名: 1-Butyl-cyclohexanol-(2)；1-n-Butylcyclohexanol；2-Butyl-cyclohexanol；2-Butylcyclohexanol；2-butylcyclohexan-1-ol
• CAS: 36159-49-6
• 化学式: C₁₀H₂₀O
• mdl: MFCD00019332
• 分子量: 156.268
• InChiKey: LVDALGYBEFALAP-UHFFFAOYSA-N

物化性质

• 熔点：
  66.81°C (estimate)
• 沸点：
  230.54°C (estimate)
• 密度：
  0.9052 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2906199090

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2-BUTYLCYCLOHEXANOL (MIXTURE OF
ISOMERS)
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 36159-49-6
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Skin irritation (Category 2), H315
Serious eye damage (Category 1), H318
Specific target organ toxicity - single exposure (Category 3), H335
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi, N Irritant, Dangerous for the R37/38, R41, R51/53
environment
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Danger
Hazard statement(s)
H315 Causes skin irritation.
H318 Causes serious eye damage.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P280 Wear protective gloves/ eye protection/ face protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : C10H20O
Molecular Weight : 156,27 g/mol
CAS-No. : 36159-49-6
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
2-BUTYLCYCLOHEXANOL (MIXTURE OF ISOMERS)
Skin Irrit. 2; Eye Dam. 1; -
STOT SE 3; H315, H318,
H335
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
Evacuate personnel to safe areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Normal measures for preventive fire protection.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection
tested and approved under appropriate government standards such as NIOSH (US) or EN
166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
the environment must be avoided.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: liquid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 3,593
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
Toxic to aquatic life.
no data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: 3082 IMDG: 3082 IATA: 3082
UN proper shipping name
ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (2-
BUTYLCYCLOHEXANOL (MIXTURE OF ISOMERS))
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (2-
BUTYLCYCLOHEXANOL (MIXTURE OF ISOMERS))
IATA: Environmentally hazardous substance, liquid, n.o.s. (2-BUTYLCYCLOHEXANOL (MIXTURE
OF ISOMERS))
Transport hazard class(es)
ADR/RID: 9 IMDG: 9 IATA: 9
Packaging group
ADR/RID: III IMDG: III IATA: III
Environmental hazards
ADR/RID: yes IMDG Marine pollutant: yes IATA: yes
Special precautions for user
Further information
EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination
packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids.

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Eye Dam. Serious eye damage
H315 Causes skin irritation.
H318 Causes serious eye damage.
H335 May cause respiratory irritation.
Skin Irrit. Skin irritation
STOT SE Specific target organ toxicity - single exposure
Full text of R-phrases referred to under sections 2 and 3
R37/38 Irritating to respiratory system and skin.
R41 Risk of serious damage to eyes.
R51/53 Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic
environment.
Further information
Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  2-N-丁基-1-环己醇 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 以77%的产率得到2-丁基环己酮
  参考文献：
  名称：

  评估八种新型Baeyer-Villiger单加氧酶对烷基取代的环己酮的底物选择性和对映选择性

  摘要：

  最近，从居住在污水处理厂的细菌中克隆了编码八种拜尔-维利格单加氧酶的基因。我们进行了系统的研究，其中每个新克隆的酶以及不动杆菌属的环己酮单加氧酶。NCIB 9871用于氧化15种不同的烷基取代的环己酮。底物组包括相等数量的2-，3-和4-烷基取代的化合物，以探测每种酶对一系列同源的重要合成化合物的立体选择性。对于所有测试的4-烷基取代的环己酮，发现了能够提供相应的相应酶（See≥98％ee的内酯。对于所检查的2-烷基取代的环己酮也是如此。对于3-烷基取代的环己酮而言，情况更为复杂。在少数情况下，单一的Baeyer-Villiger单加氧酶对这些化合物具有很高的区域选择性和对映选择性。但是，更常见的是，它们仅显示出一种类型的选择性。尽管如此，具有这种性质的酶仍可以用作两步生物过程的一部分，在该过程中，最初的动力学拆分随后是对分离的光学纯酮的区域选择性氧化。

  DOI：

  10.1021/jo030253l
• 作为产物：
  描述：

  1-Allyloxy-2-butyl-cyclohexane 在 Grubbs catalyst first generation 盐酸 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以75%的产率得到2-N-丁基-1-环己醇
  参考文献：
  名称：

  钌类胡萝卜素络合物进行烯烃异构化。烯丙基和高烯丙基的裂解

  摘要：

  钌类化合物催化剂，例如Grubbs的配合物I，可有效介导β，γ-不饱和醚和胺异构化为相应的乙烯基醚和烯胺。该反应可用于烯丙基和高烯丙基醚以及胺的脱保护。

  DOI：

  10.1016/s0040-4039(02)00141-7

文献信息

• FUNCTIONALIZED MONOMERS AND POLYMERS
  申请人：DiBiase Stephen Augustine

  公开号：US20120245063A1

  公开（公告）日：2012-09-27

  This invention relates to a composition, comprising: an unsaturated functionalized monomer of from about 5 to about 30 carbon atoms, which is: (a) polymerized to form a functionalized polymer; (b) copolymerized with a comonomer to form a functionalized copolymer; or (c) reacted with an enophilic reagent to form a polyfunctionalized monomer. The polyfunctionalized monomer may be polymerized to form a polyfunctionalized polymer which may be further reacted with one or more additional reagents. The invention relates to lubricants, functional fluids, fuels, dispersants, detergents and polymeric resins.

  这项发明涉及一种组合物，包括：一个由约5至约30个碳原子的不饱和官能化单体组成，该单体：(a)聚合形成官能化聚合物；(b)与共聚单体共聚形成官能化共聚物；或(c)与亲亚烯试剂反应形成多官能单体。多官能单体可以聚合形成多官能聚合物，该聚合物可以进一步与一个或多个额外试剂反应。该发明涉及润滑剂、功能流体、燃料、分散剂、清洁剂和聚合树脂。
• Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same
  申请人：Hoveyda Hamid R.

  公开号：US20110105389A1

  公开（公告）日：2011-05-05

  The present invention provides novel conformationally-defined macrocyclic compounds that have been demonstrated to be selective modulators of the ghrelin receptor (GRLN, growth hormone secretagogue receptor, GHS-R1a and subtypes, isoforms and/or variants thereof). Methods of synthesizing the novel compounds are also described herein. These compounds are useful as antagonists or inverse agonists of the ghrelin receptor and as medicaments for treatment and prevention of a range of medical conditions including, but not limited to, metabolic and/or endocrine disorders, obesity and obesity-associated disorders, appetite or eating disorders, addictive disorders, cardiovascular disorders, gastrointestinal disorders, genetic disorders, hyperproliferative disorders, central nervous system disorders and inflammatory disorders.

  本发明提供了新型构象定义的大环化合物，已被证明是生长激素分泌素受体（GRLN，生长激素分泌素受体，GHS-R1a及其亚型、异构体和/或变种）的选择性调节剂。本文还描述了合成这些新型化合物的方法。这些化合物可用作生长激素分泌素受体的拮抗剂或逆向激动剂，以及用于治疗和预防一系列医学疾病，包括但不限于代谢和/或内分泌紊乱、肥胖和与肥胖相关的疾病、食欲或进食紊乱、成瘾紊乱、心血管疾病、胃肠道疾病、遗传疾病、过度增殖性疾病、中枢神经系统疾病和炎症性疾病。
• CYCLOHEXYL CARBAMATE COMPOUNDS AS ACTIVE ANTI-CELLULITE INGREDIENTS
  申请人：Meyer Imke

  公开号：US20130137710A1

  公开（公告）日：2013-05-30

  The present invention relates to the cosmetic, dermatological or therapeutic use of certain cyclohexyl carbamate compounds of formula (I) given below, preferably as anti-cellulite actives. The invention further relates to compositions and cosmetic, dermatological or therapeutic products comprising such compounds of formula (I), which are preferably suitable for the prophylaxis (prevention) and cosmetic treatment (combating) of cellulite in human beings, corresponding methods and novel compounds of formula (I) wherein A denotes wherein X, Y and Z independently of one another denote hydrogen, C1-C4-alkyl or C2-C4-alkenyl, wherein optionally two of the radicals X, Y and Z are covalently bonded to one another under formation of a bicyclic ring system, in such a bicyclic ring system two of the radicals X, Y and Z together preferably form a radical having 1 to 4 carbon atoms, preferably a hydrocarbon radical having 1 to 3 carbon atoms, B denotes NR 1 R 2 , wherein R 1 denotes hydrogen or an organic radical having 1 to 14 carbon atoms, R 2 denotes an organic radical having 1 to 14 carbon atoms, and wherein optionally R 1 and R 2 are covalently bonded to one another, preferably so that B is a 3 to 8 membered ring.

  本发明涉及以下式子（I）所示的某些环己基氨基甲酸酯化合物的化妆品、皮肤科或治疗用途，优选作为抗脂肪纹活性剂。本发明还涉及包含该式（I）化合物的组合物和化妆品、皮肤科或治疗产品，这些化合物优选用于人类的脂肪纹预防和美容治疗，以及相应的方法和新型式（I）化合物。其中，A表示......，X、Y和Z分别独立地表示氢、C1-C4烷基或C2-C4烯基，其中可选地，X、Y和Z中的两个基团彼此共价结合形成二环环系统，在这样的二环环系统中，X、Y和Z中的两个基团一起优选形成具有1至4个碳原子的基团，优选为具有1至3个碳原子的碳氢基团，B表示NR1R2，其中R1表示氢或具有1至14个碳原子的有机基团，R2表示具有1至14个碳原子的有机基团，可选地，R1和R2彼此共价结合，优选使得B为3至8个成员的环。
• CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES
  申请人：Vielhaber Gabriele

  公开号：US20130156710A1

  公开（公告）日：2013-06-20

  The present invention relates to the cosmetic, dermatological or therapeutic use of certain cyclohexyl carbamate compounds of formula (I) given below, preferably as skin and/or hair lightening (whitening) actives. The invention further relates to compositions and cosmetic, dermatological or therapeutic products comprising one or more compounds of formula (I) suitable for lightening human skin and/or hair and corresponding methods. The invention further relates to compounds of formula (I) as a drug, their use for the preparation of a pharmaceutical composition for lightening human skin and/or hair and to novel compounds of formula (I) wherein A denotes wherein X, Y and Z independently of one another denote hydrogen, C1-C4-alkyl or C2-C4-alkenyl, wherein optionally two of the radicals X, Y and Z are covalently bonded to one another under formation of a bicyclic ring system, in such a bicyclic ring system two of the radicals X, Y and Z together preferably form a radical having 1 to 4 carbon atoms, preferably a hydrocarbon radical having 1 to 3 carbon atoms, B denotes NR 1 , R 2 , wherein R 1 denotes hydrogen or an organic radical having 1 to 14 carbon atoms, R 2 denotes an organic radical having 1 to 14 carbon atoms, and wherein optionally R 1 and R 2 are covalently bonded to one another, preferably so that B is a 3 to 8 membered ring.

  本发明涉及以下式子(I)所示的某些环己基氨基甲酸酯化合物的化妆品、皮肤学或治疗用途，优选作为皮肤和/或头发美白活性剂。本发明还涉及含有一个或多个式(I)化合物的组合物和化妆品、皮肤学或治疗产品，适用于美白人类皮肤和/或头发以及相应的方法。本发明还涉及式(I)化合物作为药物，其用于制备用于美白人类皮肤和/或头发的制药组合物，以及式(I)的新化合物，其中A表示其中X、Y和Z彼此独立地表示氢、C1-C4烷基或C2-C4烯基，其中可选地，X、Y和Z中的两个基团在形成二环环系的情况下共价键结在一起，这样，在这样的二环环系中，X、Y和Z中的两个基团首选形成具有1到4个碳原子的基团，优选为具有1到3个碳原子的碳氢基团；B表示NR1、R2，其中R1表示氢或具有1到14个碳原子的有机基团，R2表示具有1到14个碳原子的有机基团，可选地，R1和R2彼此共价键结，优选使得B为3到8个成员的环。
• Cyclohexyl carbamate compounds as anti-ageing actives
  申请人：Symrise AG

  公开号：EP2389922A1

  公开（公告）日：2011-11-30

  The present invention relates to the cosmetic, dermatological or therapeutic use of compounds of formula (I) given below, in particular as anti-ageing actives. wherein A denotes wherein X, Y and Z independently of one another denote hydrogen, C1-C4-alkyl or C2-C4-alkenyl, wherein optionally two of the radicals X, Y and Z are covalently bonded to one another under formation of a bicyclic ring system, in such a bicyclic ring system two of the radicals X, Y and Z together preferably form a radical having 1 to 4 carbon atoms, preferably a hydrocarbon radical having 1 to 3 carbon atoms, B denotes NR1R2, wherein R1 denotes hydrogen or an organic radical having 1 to 14 carbon atoms, R2 denotes an organic radical having 1 to 14 carbon atoms, and wherein optionally R1 and R2 are covalently bonded to one another, preferably so that B is a 3 to 8 membered ring. The invention further relates to corresponding methods and to compositions and cosmetic, dermatological or pharmaceutical preparations (compositions) comprising one or more compounds of formula (I) and one or more further anti-ageing actives. The invention further relates to compounds of formula (I) as a drug, their use for the preparation of a pharmaceutical composition and to certain novel compounds of formula (I).

  本发明涉及以下式子(I)的化合物在化妆品、皮肤科或治疗中的使用，特别是作为抗衰老活性物质。 其中， A代表 其中，X、Y和Z分别独立地表示氢、C1-C4烷基或C2-C4烯基， 其中，可选地，X、Y和Z中的两个基团在形成二环环系的同时共价键合在一起，这样，在这样的二环环系中，X、Y和Z中的两个基团一起优选形成具有1到4个碳原子的基团，优选是指1到3个碳原子的碳氢基团， B代表NR1R2， 其中， R1代表氢或具有1到14个碳原子的有机基团， R2代表具有1到14个碳原子的有机基团， 并且可选地，R1和R2共价键合在一起，优选是使B成为3到8成员环。 本发明还涉及相应的方法、包含一个或多个式(I)化合物和一个或多个进一步的抗衰老活性物质的组合物和化妆品、皮肤科或制药制剂(组合物)。本发明还涉及式(I)化合物作为药物、其用于制备制药组合物以及某些新的式(I)化合物。

表征谱图