cis-jasmone lactone | 70851-61-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: cis-jasmone lactone
• 英文别名: 4-methyl-4-(cis-3-hexenyl)-4-butyrolactone；5-(3-hexenyl)-dihydro-5-methyl-(Z)-2(3H)-furanone；Lactone of cis-jasmone；5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one
• CAS: 70851-61-5
• 化学式: C₁₁H₁₈O₂
• 分子量: 182.263
• InChiKey: NIKDJTTZUYNCMM-PLNGDYQASA-N

物化性质

• 沸点：
  255.67°C (rough estimate)
• 密度：
  0.966 g/mL at 25 °C
• 闪点：
  101℃
• LogP：
  2.48
• 物理描述：
  Colourless liquid; fresh herbaceous note
• 溶解度：
  Insoluble in water; soluble in oil
• 折光率：
  1.463-1.468

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
: 4-Hydroxy-4-methyl-7-cis-decenoic acid γ-lactone
Product name
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. : 70851-61-5
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
This substance is not classified as dangerous according to Directive 67/548/EEC.
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Synonyms : 5-(cis-3-Hexenyl) dihydro-5-methyl-2(3H)furanone
Lactone of cis-jasmone
4-Methyl-cis-7-decene γ-lactone
Formula : C11H18O2
Molecular Weight : 182,26 g/mol
CAS-No. : 70851-61-5
EC-No. : 274-942-8
No components need to be disclosed according to the applicable regulations.

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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
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
Avoid breathing vapours, mist or gas.
For personal protection see section 8.
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
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)
Apart 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
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).
Control of environmental exposure
Do not let product enter drains.

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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 293,75 °C
boiling range
g) Flash point 101 °C
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: 2,105
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
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
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
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
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
Further information
Copyright 2014 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：

  cis-jasmone lactone 在 劳森试剂 、 六甲基二硅氧烷 作用下， 反应 0.03h， 以65%的产率得到cis-jasmone thionolactone
  参考文献：
  名称：

  Solvent-free thionation of γ-lactones under microwave irradiation

  摘要：

  A series of gamma-thionolactones was synthesized, with good yields, using a new combination of Lawesson's reagent (LR) and hexamethyldisiloxane (HMDO) in solvent-free conditions under microwave irradiation. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01636-8
• 作为产物：
  描述：

  (Z)-1-氯己-3-烯 在 sodium tetrahydroborate 、 正丁基锂 、 碘 、 magnesium 、 copper(l) chloride 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 为溶剂， 反应 7.25h， 生成 cis-jasmone lactone
  参考文献：
  名称：

  4-甲基-4-(顺式-3-己烯基)-4-丁内酯的合成方法

  摘要：

  本发明属于精细化学化工领域，具体涉及一种4‑甲基‑4‑(顺式‑3‑己烯基)‑4‑丁内酯的合成方法，该方法采用以叶醇为起始原料，与二氯亚砜反应生成顺式1‑氯‑3‑己烯，先与金属镁反应得到顺式3‑己烯基格氏试剂，再与乙酰氯反应生成顺式‑5‑己烯‑2‑酮，然后在正丁基锂的存在下，与丙炔酸甲酯反应，得到顺式‑4‑甲基‑4‑羟基‑7‑癸烯‑2‑炔酸甲酯，最后在CuCl的催化下，用NaBH4直接还原关环，制得4‑甲基‑4‑(顺式‑3‑己烯基)‑4‑丁内酯。该方法对环境友好、成本低廉、适宜工业化生产。

  公开号：

  CN106632162A

文献信息

• Organic Compounds
  申请人：Schilling Boris

  公开号：US20100113460A1

  公开（公告）日：2010-05-06

  Disclosed are compounds having the ability to inhibit cytochrome P450 2A6, 2A13, and/or 2B6 and tobacco products comprising them. Also disclosed are pharmaceutical compositions comprising them.

  揭示了一种具有抑制细胞色素P450 2A6、2A13和/或2B6能力的化合物，以及包含它们的烟草产品。还披露了包含这些化合物的药物组合物。
• Fragrance precursors
  申请人：——

  公开号：US20020035055A1

  公开（公告）日：2002-03-21

  The present invention provides a fragrance precursor of formula I: 1 that is capable of forming a fragrant ketone of formula II: 2 and a fragrant lactone of formula III: 3

  本发明提供了一种化学式I的香气前体：1，该前体能够形成化学式II的芳香酮：2和化学式III的芳香内酯：3。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• ENERGETIC COCRYSTALS FOR TREATMENT OF A SUBTERRANEAN FORMATION
  申请人：HALLIBURTON ENERGY SERVICES, INC.

  公开号：US20160177698A1

  公开（公告）日：2016-06-23

  The present invention relates to energetic cocrystals, and to methods for using the same for treatment of a subterranean formation. In various embodiments, the present invention provides a method of treating a subterranean formation, the method including obtaining or providing a composition including energetic cocrystals. Each energetic cocrystal independently includes an energetic compound and a secondary material. The method also includes placing the composition in a subterranean formation.

  本发明涉及具有能量共晶体的相关技术，以及使用这些技术治疗地下地层的方法。在各种实施例中，本发明提供了一种治疗地下地层的方法，该方法包括获得或提供包括能量共晶体的组合物。每个能量共晶体独立地包括一个能量化合物和一个辅助材料。该方法还包括将该组合物放置在地下地层中。
• Precursor compounds
  申请人：GIVAUDAN-ROURE (INTERNATIONAL) S.A.

  公开号：EP0887335A1

  公开（公告）日：1998-12-30

  The compounds of the formula I are precursors for organoleptic and antimicrobial compounds. The latter are generated in the presence of skin bacteria, enzymes or acidic or alkaline conditions. One precursor molecule can provide one or more different compounds.

  式 I 的化合物 是感官和抗菌化合物的前体。后者在皮肤细菌、酶或酸性或碱性条件下生成。一个前体分子可以提供一种或多种不同的化合物。