二氢芳樟醇 | 18479-51-1

• 物质功能分类: 香精与香料 - 合成香料 - 醇类香料
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 二氢芳樟醇
• 中文别名: 3,7-二甲基-6-辛烯-3-醇,2,6-二甲基-2-辛烯-6-醇；3,7-二甲基-1-辛烯-3-醇；3,7-二甲基-6-辛烯-3-醇
• 英文名称: dihydrolinalool
• 英文别名: 1,2-dihydrolinalool；3,7-dimethyl-6-octen-3-ol；3,7-dimethyloct-6-en-3-ol
• CAS: 18479-51-1
• 化学式: C₁₀H₂₀O
• mdl: MFCD00059140
• 分子量: 156.268
• InChiKey: JRTBBCBDKSRRCY-UHFFFAOYSA-N

物化性质

• 熔点：
  -4.05°C (estimate)
• 沸点：
  200 °C
• 密度：
  0.86
• 闪点：
  178°C(lit.)
• LogP：
  2.9 at 23℃ and pH7
• 表面张力：
  27.126mN/m at 1.2g/L and 20℃
• 保留指数：
  1119;1125;1121;1121

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P501,P261,P273,P272,P202,P210,P201,P271,P264,P280,P302+P352,P370+P378,P312,P337+P313,P305+P351+P338,P362+P364,P333+P313,P304+P340+P312,P403+P233,P403+P235,P405
• 危险性描述：
  H302,H315,H319,H361,H317,H336,H412,H227
• 储存条件：
  室温

SDS

Dihydrolinalool Revision number: 6
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: Dihydrolinalool

Revision number: 6

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
Not classified
HEALTH HAZARDS
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols None
No signal word
Signal word
Hazard statements None
None
Precautionary statements:

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: Dihydrolinalool
Percent: >97.0%(GC)
CAS Number: 18479-51-1
Synonyms: 3,7-Dimethyl-6-octen-3-ol
Chemical Formula: C10H20O

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, carbon dioxide.
media:
Unsuitable extinguishing Water (It may scatter and spread fire.)
media:
Dihydrolinalool

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Section 5. FIRE-FIGHTING MEASURES
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapour or mist. Wash hands and face thoroughly after
handling.
Use a ventilation, local exhaust if vapour or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust as possible so that workers should not be
Engineering controls:
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Vapor respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Liquid
Form: Clear
Colorless - Very pale yellow
Colour:
Odour: No data available
pH: No data available
Melting point/freezing point:5°C
200°C
Boiling point/range:
Flash point: 178°C
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
0.86
Relative density:
Solubility(ies):
No data available
[Water]
[Other solvents] No data available
Dihydrolinalool

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
No data available
NTP =
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
No data available
Log Pow:
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Does not correspond to the classification standard of the United Nations
Hazards Class:
UN-No: Not listed

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.
Dihydrolinalool

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

3,7-二甲基辛-6-烯-3-醇是一种生物化学试剂，可用作生物材料或有机化合物，广泛应用于生命科学的相关研究中。

反应信息

• 作为反应物：
  描述：

  二氢芳樟醇 在 nickel pumice stone 作用下， 生成 2,6-二甲基辛烷
  参考文献：
  名称：

  Escourrou, Bulletin de la Societe Chimique de France, 1928, vol. <4>43, p. 1108

  摘要：

  DOI：
• 作为产物：
  描述：

  芳樟醇 在 锰 、 5%-palladium/activated carbon 、 水 、 氯化铵 作用下， 以93%的产率得到二氢芳樟醇
  参考文献：
  名称：

  使用锰/水作为氢气源对不饱和化合物进行温和选择性氢化

  摘要：

  描述了使用锰/水温和且高选择性地还原烯烃和炔烃。高度受控的H 2生成允许在不稳定官能团存在下在温和且环境可接受的条件下选择性还原这些化合物。

  DOI：

  10.1021/acs.orglett.3c03664

文献信息

• Lanthanum(III) Isopropoxide Catalyzed Chemoselective Transesterification of Dimethyl Carbonate and Methyl Carbamates
  作者：Manabu Hatano、Sho Kamiya、Katsuhiko Moriyama、Kazuaki Ishihara

  DOI：10.1021/ol102754y

  日期：2011.2.4

  carbonate and much less reactive methyl carbamates with primary (1°), secondary (2°), and tertiary (3°) alcohols was established with the use of a lanthanum(III) complex, which was prepared in situ from lanthanum(III) isopropoxide (3 mol %) and 2-(2-methoxyethoxy)ethanol (6 mol %). In particular, corresponding carbonates and carbamates obtained were of synthetic utility from the viewpoint of the selective protection

  使用镧（III）配合物，建立了反应性较低的碳酸二甲酯和反应性较低的氨基甲酸甲酯与伯（1°），仲（2°）和叔（3°）醇的实际酯交换反应原位由异丙醇镧（III）（3摩尔％）和2-（2-甲氧基乙氧基）乙醇（6摩尔％）原位制备。特别地，从对1°-，2°-和3°-醇的选择性保护和/或脱保护的观点来看，获得的相应的碳酸盐和氨基甲酸酯具有合成用途。
• Fragrance compositions and compounds
  申请人：Givaudan Nederland Services B.V.

  公开号：US08088725B2

  公开（公告）日：2012-01-03

  A perfume composition including the compound 4-[(1,5-dimethylhexyl)oxy]butanal in both its racemic and enantiomeric forms.

  一种香水配方，包括化合物4-[(1,5-二甲基己基)氧基]丁醛的外消旋和对映体形式。
• Rethinking Basic Concepts—Hydrogenation of Alkenes Catalyzed by Bench-Stable Alkyl Mn(I) Complexes
  作者：Stefan Weber、Berthold Stöger、Luis F. Veiros、Karl Kirchner

  DOI：10.1021/acscatal.9b03963

  日期：2019.11.1

  intermediate which undergoes rapid hydrogenolysis to form the active 16e Mn(I) hydride catalyst [Mn(dippe)(CO)2(H)]. A range of mono- and disubstituted alkenes were efficiently converted into alkanes in good to excellent yields. The hydrogenation of 1-alkenes and 1,1-disubstituted alkenes proceeds at 25 °C, while 1,2-disubstituted alkenes require a reaction temperature of 60 °C. In all cases, a catalyst loading

  描述了一种有效的无添加剂锰催化的分子氢将烯烃氢化为烷烃的方法。该反应是原子经济的，实现了廉价的，富含地球的非贵金属催化剂。最有效的前催化剂是长凳稳定的烷基双膦Mn（I）配合物fac- [Mn（dippe）（CO）3（CH 2 CH 2 CH 3）]。催化过程是通过将CO配体迁移插入M n-烷基键中而产生的酰基中间体，该中间体经过快速氢解后形成活性16e Mn（I）氢化物催化剂[Mn（dippe）（CO）2（H）]。各种单取代和二取代的烯烃以良好或优异的收率有效地转化为烷烃。1-烯烃和1,1-二取代烯烃的氢化反应在25°C进行，而1,2-二取代烯烃的反应温度为60°C。在所有情况下，均施加2mol％的催化剂负载和50bar的氢气压力。提出了一种基于DFT计算的机制，并得到了初步的实验研究的支持。
• Palladium nanoparticles in situ generated in metal–organic films for catalytic applications
  作者：Shuiying Gao、Minna Cao、Weijin Li、Rong Cao

  DOI：10.1039/c4ta01592d

  日期：——

  Palladium nanoparticles were first in situ generated in metal–organic films for catalytic applications.

  钯纳米颗粒首次在金属-有机薄膜中原位生成，用于催化应用。
• Silicon–Carbon Bond Formation via Nickel-Catalyzed Cross-Coupling of Silicon Nucleophiles with Unactivated Secondary and Tertiary Alkyl Electrophiles
  作者：Crystal K. Chu、Yufan Liang、Gregory C. Fu

  DOI：10.1021/jacs.6b03465

  日期：2016.5.25

  cross-coupling methods for the formation of C-C bonds from unactivated alkyl electrophiles have been described in recent years. In contrast, progress in the development of methods for the construction of C-heteroatom bonds has lagged; for example, there have been no reports of metal-catalyzed cross-couplings of unactivated secondary or tertiary alkyl halides with silicon nucleophiles to form C-Si bonds. In this

  近年来，已经描述了用于从未活化的烷基亲电试剂形成 CC 键的一系列交叉偶联方法。相比之下，C-杂原子键构建方法的开发进展滞后；例如，没有关于未活化的仲或叔烷基卤化物与硅亲核试剂在金属催化下交叉偶联形成 C-Si 键的报道。在这项研究中，我们解决了这一挑战，确定了一种简单的市售镍催化剂（NiBr2·二甘醇二甲醚）可以在异常温和的条件下（例如，-20°C）实现烷基溴与亲核硅试剂的偶联；特别值得注意的是我们能够使用未活化的叔烷基卤化物作为亲电偶联伙伴，这在交叉偶联化学领域还比较少见。立体化学、相对反应性和自由基陷阱研究与 CX 键裂解的均裂途径一致。

表征谱图