7,8-二羟基-1-辛烯 | 85866-02-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 7,8-二羟基-1-辛烯
• 中文别名: 7-辛烯-1,2-二醇
• 英文名称: 7-octene-1,2-diol
• 英文别名: 7,8-dihydroxy-1-octene；oct-7-ene-1,2-diol；7-octen-1,2-diol
• CAS: 85866-02-0
• 化学式: C₈H₁₆O₂
• mdl: MFCD00012060
• 分子量: 144.214
• InChiKey: UXGHWJFURBQKCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  256.0±28.0 °C(Predicted)
• 密度：
  0.941 g/mL at 25 °C (lit.)
• 闪点：
  113 °C
• 稳定性/保质期：
  如果按照规格正确使用和储存，则不会分解，也未有已知危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2905399090
• WGK Germany：
  3
• 储存条件：
  请将贮藏器密封，并将其存放在阴凉、干燥处。同时，确保工作环境有良好的通风或排气设施。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 7-Octene-1,2-diol
CAS-No. : 85866-02-0
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
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C8H16O2
Molecular Weight : 144,21 g/mol

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Section 4. FIRST AID MEASURES
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
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
Avoid breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
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
Normal measures for preventive fire protection.
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.
hygroscopic
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
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
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK
(EU EN 14387) respirator cartridges. Use respirators and components tested and approved under
appropriate government standards such as NIOSH (US) or CEN (EU).

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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 > 113,00 °C - closed cup
h) Evaporation 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 0,941 g/mL at 25 °C
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition 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
no data available
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

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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 sensitization
no data available
Germ cell mutagenicity
no data available
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
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation
May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Additional Information
RTECS: Not available

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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
no data available
Other adverse effects
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.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  7,8-二羟基-1-辛烯 在 1,2-bis[(2S,5S)-2,5-diethylphospholano]benzene(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate 盐酸 、 4-二甲氨基吡啶 、 sodium periodate 、 偶氮二甲酸二异丙酯 、 氢气 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三乙胺 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 吡啶 、 乙醇 、 二氯甲烷 、 水 为溶剂， 20.0 ℃ 、310.26 kPa 条件下， 反应 89.0h， 生成 (Z)-(1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-18-(7-methoxy-2-methoxycarbonyl-quinolin-4-yloxy)-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.0^4,6]nonadec-7-ene-4-carboxylic acid methyl ester
  参考文献：
  名称：

  Synthesis of BILN 2061, an HCV NS3 Protease Inhibitor with Proven Antiviral Effect in Humans

  摘要：

  The synthesis of BILN 2061, an NS3 protease inhibitor with proven antiviral effect in humans, was accomplished in a convergent manner from four building blocks. The procedure described here was suitable for the preparation of multigram quantities of BILN 2061 for preclinical pharmacological evaluation.

  DOI：

  10.1021/ol0489907
• 作为产物：
  描述：

  1,7-辛二烯 在 硫酸 、 水 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 39.0h， 生成 7,8-二羟基-1-辛烯
  参考文献：
  名称：

  Byrom, Norman T.; Grigg, Ronald; Kongkathip, Boonsong, Journal of the Chemical Society. Perkin transactions I, 1984, # 8, p. 1643 - 1653

  摘要：

  DOI：

文献信息

• Halogen substituted metallocene compounds for olefin polymerization
  申请人：Voskoboynikov Z. Alexander

  公开号：US20070135594A1

  公开（公告）日：2007-06-14

  A metallocene compound is represented by the formula (1): AMX n-1 wherein M is a transition metal atom having a coordination number of n selected from Group 3, 4, 5 or 6 of the Periodic Table of Elements, or a lanthanide metal atom, or actinide metal atom; A is a substituted monocyclic or polycyclic arenyl ligand pi-bonded to M, wherein said arenyl ligand includes at least one halogen substituent directly bonded to any sp 2 carbon atom at a bondable ring position of the ligand; and the or each X is a univalent anionic ligand, or two X are joined and bound to the metal atom to form a metallocycle ring, or two X are joined to form a chelating ligand, a diene ligand, or an alkylidene ligand.

  一种金属烯化合物可以用公式(1)表示： AMX n-1 其中，M是具有配位数n的过渡金属原子，选自元素周期表第3、4、5或6族，或为镧系金属原子，或锕系金属原子；A是与M以π键结合的取代的单环或多元环芳基配体，其中所述芳基配体包括至少一个直接键合到配体的可键合环位上的任意sp2碳原子上的卤素取代基；而X是单价阴离子配体，或者两个X连接并与金属原子结合形成一个金属环烯环，或者两个X连接形成一个螯合配体、二烯配体或烷基亚烯配体。
• Ruthenium-Catalyzed Vinylsilane Synthesis and Cross-Coupling as a Selective Approach to Alkenes:  Benzyldimethylsilyl as a Robust Vinylmetal Functionality
  作者：Barry M. Trost、Michelle R. Machacek、Zachary T. Ball

  DOI：10.1021/ol034463w

  日期：2003.5.1

  [reaction: see text] Ruthenium-catalyzed alkyne hydrosilylation or silyl-alkyne Alder ene reactions provide entry into benzyldimethylsilyl (BDMS)-substituted alkenes. The BDMS-vinylsilanes are further elaborated through mild palladium-catalyzed cross coupling and show significant stability to intervening synthetic operations, including silyl ether deprotection.

  [反应：见正文]钌催化的炔烃氢化硅烷化或甲硅烷基炔烃Alder烯反应提供了进入苄基二甲基甲硅烷基（BDMS）取代烯烃的入口。BDMS-乙烯基硅烷通过温和的钯催化的交叉偶联进行了进一步的修饰，对介入的合成操作（包括甲硅烷基醚脱保护）表现出显着的稳定性。
• DERMATOLOGICAL COMPOSITIONS AND METHODS
  申请人：——

  公开号：US20020141952A1

  公开（公告）日：2002-10-03

  Disclosed are methods and compositions for regulating the melanin content of mammalian melanocytes; regulating pigmentation in mammalian skin, hair, wool or fur; treating or preventing various skin and proliferative disorders; by administration of various compounds, including alcohols, diols and/or triols and their analogues.

  公开了用于调节哺乳动物黑素细胞的黑色素含量的方法及组合物；通过施用包括醇、二醇和/或三醇及其类似物在内的各种化合物，来调节哺乳动物皮肤、毛发、羊毛或毛皮的色素沉着；以及治疗或预防各种皮肤和增殖性障碍。
• Ruthenium pincer-catalyzed synthesis of substituted γ-butyrolactones using hydrogen autotransfer methodology
  作者：Miguel Peña-López、Helfried Neumann、Matthias Beller

  DOI：10.1039/c5cc01708d

  日期：——

  The ruthenium pincer-catalyzed synthesis of γ-butyrolactones from 1,2-diols and malonates using borrowing-hydrogen methodology is reported.

  本文报道了使用借氢方法，通过钌夹钳催化从1,2-二醇和丙二酸酯合成γ-丁内酯的过程。

• [EN] TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION<br/>[FR] COMPOSES METALLIQUES DE TRANSITION POUR LA POLYMERISATION D'OLEFINES ET L'OLIGOMERISATION
  申请人：EXXONMOBIL CHEM PATENTS INC

  公开号：WO2005118605A1

  公开（公告）日：2005-12-15

  This invention relates to new transition metal catalyst compounds represented by the formula (I): where: M and M' are, independently, a group 8, 9, 10 or 11 transition metal, preferably Ni, Co, Pd, Cu or Fe; each R group is, independently, is, hydrogen, or a hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, silylcarbyl, substituted silylcarbyl, germylcarbyl, or substituted germylcarbyl substituents, and optionally, adjacent R groups may join together to form a substituted or unsubstituted, saturated, partially unsaturated, or aromatic cyclic or polycyclic substituent; R' is hydrogen, or a hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, silylcarbyl, substituted silylcarbyl, germylcarbyl, or substituted germylcarbyl substituents, and optionally, adjacent R groups may join together with R' to form a substituted or unsubstituted, saturated, partially unsaturated, or aromatic cyclic or polycyclic substituent; each X group is, independently, is, hydrogen, a halogen, or a hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, silylcarbyl, substituted sililcarbyl, germylcarbyl, or substituted germylcarbyl substituents, and optionally, adjacent X groups may join together to form a substituted or unsubstituted, saturated, partially unsaturated, or aromatic cyclic or polycyclic substituent; m and m’ are, independently, 0, 1, 2, or 3; z and z’ are, independently, 0, 1, 2, or 3; N is nitrogen; Q is hydrogen, or a hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, silylcarbyl, substituted silylcarbyl, germylcarbyl, or substituted germylcarbyl substituents; Q’ is hydrogen, or a hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, silylcarbyl, substituted silylcarbyl, germylcarbyl or substituted germylcarbyl substituents; and L is a hydrocarbyl, substituted hydrocarbyl, halocarbyl, substituted halocarbyl, silylcarbyl, substituted silylcarbyl, germylcarbyl, or substituted germylcarbyl substituent.

  这项发明涉及由式(I)表示的新过渡金属催化剂化合物，其中：M和M'分别是8、9、10或11族过渡金属，优选为Ni、Co、Pd、Cu或Fe；每个R基分别是氢，或烃基，取代烃基，卤代烃基，取代卤代烃基，硅烃基，取代硅烃基，锗烃基，或取代锗烃基取代基，且可选地，相邻的R基可以结合在一起形成取代或未取代的饱和、部分不饱和或芳香环或多环取代基；R'是氢，或烃基，取代烃基，卤代烃基，取代卤代烃基，硅烃基，取代硅烃基，锗烃基，或取代锗烃基取代基，且可选地，相邻的R基可以与R'结合在一起形成取代或未取代的饱和、部分不饱和或芳香环或多环取代基；每个X基分别是氢，卤素，或烃基，取代烃基，卤代烃基，取代卤代烃基，硅烃基，取代硅烃基，锗烃基，或取代锗烃基取代基，且可选地，相邻的X基可以结合在一起形成取代或未取代的饱和、部分不饱和或芳香环或多环取代基；m和m'分别为0、1、2或3；z和z'分别为0、1、2或3；N为氮；Q为氢，或烃基，取代烃基，卤代烃基，取代卤代烃基，硅烃基，取代硅烃基，锗烃基，或取代锗烃基取代基；Q'为氢，或烃基，取代烃基，卤代烃基，取代卤代烃基，硅烃基，取代硅烃基，锗烃基，或取代锗烃基取代基；L为烃基，取代烃基，卤代烃基，取代卤代烃基，硅烃基，取代硅烃基，锗烃基，或取代锗烃基取代基。

表征谱图