油酸十八烷醇酯 | 17673-49-3

• 物质功能分类: 分析化学 - 食品安全 - 脂肪酸、脂肪酸甲酯
• 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: 油酸十八烷醇酯
• 中文别名: 9-十八碳烯酸十八烷基酯
• 英文名称: stearyl oleate
• 英文别名: (Z)-9-octadecenoic acid octadecyl ester；octadecyl (Z)-octadec-9-enoate
• CAS: 17673-49-3
• 化学式: C₃₆H₇₀O₂
• 分子量: 534.951
• InChiKey: WRPMUZXHQKAAIC-ZZEZOPTASA-N

物化性质

• 熔点：
  28.5 °C
• 沸点：
  589.1±29.0 °C(Predicted)
• 密度：
  0.862±0.06 g/cm3(Predicted)
• LogP：
  17.193 (est)
• 保留指数：
  3720.44
• 稳定性/保质期：
  存在于烟叶中。

计算性质

• 辛醇/水分配系数(LogP)：
  16.4
• 重原子数：
  38
• 可旋转键数：
  33
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2916150000
• 储存条件：
  贮存温度为−20°C。

SDS

Date Updated: 11/FEB/2006
Version 1.2
Regulation (EC) No 1907/2006
________________________________________________________________________
1 - Product and Company Information
________________________________________________________________________
Product Name OLEIC ACID STEARYL ESTER
Product Number O5505
Company
Century Ba-Shi Building 22A-B,
200020 Shanghai
Technical Phone # [phone]
Fax [phone]
E-mail Address
________________________________________________________________________
2 - Hazards Identification
________________________________________________________________________
________________________________________________________________________
3 - Composition/Information on Ingredients
________________________________________________________________________
Product Name CAS # EC no Annex I
Index Number
OLEIC ACID STEARYL ESTER 17673-49-3 241-651-2 None
Formula C36H70O2
Molecular Weight 535,0000 AMU
________________________________________________________________________
4 - First Aid Measures
________________________________________________________________________
AFTER INHALATION
If inhaled, remove to fresh air. If breathing becomes difficult,
call a physician.
AFTER SKIN CONTACT
In case of skin contact, flush with copious amounts of water for
at least 15 minutes. Remove contaminated clothing and shoes.
Call a physician.
AFTER EYE CONTACT
In case of contact with eyes, flush with copious amounts of
water for at least 15 minutes. Assure adequate flushing by
separating the eyelids with fingers. Call a physician.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.
________________________________________________________________________
5 - Fire Fighting Measures
________________________________________________________________________
EXTINGUISHING MEDIA
Suitable: Carbon dioxide, dry chemical powder, or appropriate
foam.
SPECIAL RISKS
Specific Hazard(s): Emits toxic fumes under fire conditions.
SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.
________________________________________________________________________
6 - Accidental Release Measures
________________________________________________________________________
PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear respirator, chemical safety goggles, rubber boots, and
heavy rubber gloves.
METHODS FOR CLEANING UP
Cover with dry lime or soda ash, pick up, keep in a closed
container, and hold for waste disposal. Ventilate area and wash
spill site after material pickup is complete.
________________________________________________________________________
7 - Handling and Storage
________________________________________________________________________
STORAGE
Store at -20°C
________________________________________________________________________
8 - Exposure Controls / Personal Protection
________________________________________________________________________
ENGINEERING CONTROLS
Mechanical exhaust required.
PERSONAL PROTECTIVE EQUIPMENT
Respiratory Protection: Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US)
or CEN (EU). Respiratory protection is not required. Where
protection is desired, use multi-purpose combination (US) or type
ABEK (EN 14387) respirator cartridges.
Hand Protection: Compatible chemical-resistant gloves.
Eye Protection: Chemical safety goggles.
________________________________________________________________________
9 - Physical and Chemical Properties
________________________________________________________________________
Appearance Physical State: Liquid
Property Value At Temperature or Pressure
pH N/A
BP/BP Range N/A
MP/MP Range N/A
Flash Point N/A
Flammability N/A
Autoignition Temp N/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
Vapor Pressure N/A
Partition Coefficient N/A
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
Miscellaneous Data N/A
Solubility N/A
________________________________________________________________________
10 - Stability and Reactivity
________________________________________________________________________
STABILITY
Stable: Stable.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide.
HAZARDOUS POLYMERIZATION
Hazardous Polymerization: Will not occur
________________________________________________________________________
11 - Toxicological Information
________________________________________________________________________
ROUTE OF EXPOSURE
Skin Contact: May cause skin irritation.
Eye Contact: May cause eye irritation.
Multiple Routes: May be harmful by inhalation, ingestion, or
skin absorption.
CONDITIONS AGGRAVATED BY EXPOSURE
The toxicological properties have not been thoroughly
investigated.
________________________________________________________________________
12 - Ecological Information
________________________________________________________________________
No data available.
________________________________________________________________________
13 - Disposal Considerations
________________________________________________________________________
SUBSTANCE DISPOSAL
Dissolve or mix the material with a combustible solvent and burn
in a chemical incinerator equipped with an afterburner and
scrubber. Observe all federal, state, and local environmental
regulations.
________________________________________________________________________
14 - Transport Information
________________________________________________________________________
RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.
________________________________________________________________________
15 - Regulatory Information
________________________________________________________________________
COUNTRY SPECIFIC INFORMATION
Germany
WGK: 3
Self-Classification
________________________________________________________________________
16 - Other Information
________________________________________________________________________
WARRANTY
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
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.

---

模块 15 - 法规信息
N/A

---

模块16 - 其他信息
N/A

制备方法与用途

油酸硬脂酯是一种生物化学试剂，可用于生物材料或有机化合物的相关研究，在生命科学领域中有重要作用。

反应信息

• 作为反应物：
  描述：

  油酸十八烷醇酯 、 二十二烷-1-醇 、 以produced by hydrolysis of sunflower oil (476 g)的产率得到Behenyl Linoleate Oleate
  参考文献：
  名称：

  Wax ester compositions

  摘要：

  具有有益健康特性的蜡酯混合物包括：.gtoreq.两种不同的蜡酯，其含量为5-95％，每种蜡酯的熔点为-10℃至80℃，混合物显示的熔点为15至45％，而混合物中> 80重量％的蜡酯具有20至60℃的熔点；蜡酯由线性醇和线性羧酸衍生而来，其中任何一种都具有.gtoreq.8个碳原子。

  公开号：

  US06123979A1
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 nickel kieselguhr 作用下， 生成 油酸十八烷醇酯
  参考文献：
  名称：

  Hilditch; Paul, Journal of the Chemical Society, 1936, p. 665

  摘要：

  DOI：

文献信息

• Cosmetic compositions
  申请人：Symrise AG

  公开号：EP2745878A1

  公开（公告）日：2014-06-25

  Suggested is a cosmetic compositions comprising (a) a crosspolymer obtained from copolymerisation of at least two different polyols and at least one dicarboxylic acid and (b) at least one fragrance.

  建议的是一种化妆品组合物，包括 (a) 由至少两种不同的多元醇和至少一种二羧酸共聚得到的交联聚合物，以及 (b) 至少一种香料。
• SMALL MOLECULE CMKLR1 ANTAGONISTS IN INFLAMMATORY DISEASE
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US20200345661A1

  公开（公告）日：2020-11-05

  α-NETA analogs are provided for the treatment of inflammatory disease.

  α-NETA类似物用于治疗炎症性疾病。
• [EN] ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS<br/>[FR] ESTERS ET ÉTHERS DE 2,2,4,4-TÉTRAMÉTHYLCYCLOBUTANE -1,3-DIOL DESTINÉS À ÊTRE UTILISÉS EN TANT QUE PRODUITS CHIMIQUES AROMATIQUES
  申请人：BASF SE

  公开号：WO2019048544A1

  公开（公告）日：2019-03-14

  The present invention relates to the use of a compound of the general formula (I) wherein R1 is C1-C4-alkyl or -(C=0)-R3, R2 is hydrogen, C1-C4-alkyl or -(C=0)-R4, and R3 and R4, independently of one another, are selected from the group consisting of hydrogen and C1-C4-alkyl, a stereoisomer thereof or a mixture of stereoisomers thereof, as an aroma chemical, to aroma chemical compositions comprising at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, and to a method for preparing a fragranced ready-to-use composition, which comprises incorporating at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, into a ready- to-use composition. The present invention further relates to specific ethers and specific esters of the compounds of the general formula (I) and a method for their preparation.

  本发明涉及使用一般式(I)的化合物，其中R1是C1-C4-烷基或-(C=0)-R3，R2是氢、C1-C4-烷基或-(C=0)-R4，R3和R4彼此独立地选自氢和C1-C4-烷基的群，其立体异构体或其立体异构体混合物，作为香料化学品，以及包含至少一种一般式(I)的化合物、其立体异构体或其立体异构体混合物的香料化学品组合物，以及制备香味即用组合物的方法，该方法包括将至少一种一般式(I)的化合物、其立体异构体或其立体异构体混合物纳入即用组合物中。本发明还涉及一般式(I)化合物的特定醚和特定酯以及它们的制备方法。
• PREPARATION COMPRISING CHROMAN-2-ONE DERIVATIVES
  申请人：Mujica-Fernaud Teresa

  公开号：US20100291009A1

  公开（公告）日：2010-11-18

  The invention relates to preparations comprising at least one compound of the formula (I), where the substituents R 1 to R 4 have a meaning indicated in claim 1 , and salts and solvates thereof, and to the use thereof and selected compounds of the formula (I).

  该发明涉及包含至少一种式(I)化合物的制剂，其中取代基R1至R4具有权利要求1中指示的含义，以及其盐和溶剂合物，以及其用途和选择的式(I)化合物。
• [EN] SUBSTITUTED 4-METHYLENE-TETRAHYDROPYRANS, 4-METHYL-DIHYDROPYRANS AND 4-METHYL-TETRAHYDROPYRANS AND USE THEREOF AS AROMA CHEMICALS<br/>[FR] 4-MÉTHYLÈNE-TÉTRAHYDROPYRANES, 4-MÉTHYL-DIHYDROPYRANES ET 4-MÉTHYL-TÉTRAHYDROPYRANES SUBSTITUÉS ET UTILISATION CORRESPONDANTE EN TANT QUE PRODUITS CHIMIQUES AROMATIQUES
  申请人：BASF SE

  公开号：WO2021122558A1

  公开（公告）日：2021-06-24

  The present invention relates to substituted 4-methylene-tetrahydropyrans, 4-methyl- dihydropyrans and 4-methyl-tetrahydropyrans of formula (I), where the variables are as defined in the claims and description, to a stereoisomer thereof, to a mixture of stereoisomers thereof, to a mixture of different di- and tetrahydropyrans (I) and to a mixture containing at least one di- or tetrahydropyran (I) and at least one cyclic acetal which is a 1,3-dioxan carrying in 2-position an isobutanol-2-yl- (derived) substituent and in 4,4- or 5,5-position two methyl substituents. The invention also relates to the use of such compounds as an aroma chemical and/or for modifying and/or enhancing the aroma of a composition, to compositions comprising such compounds, to methods for preparing such compounds and to a product obtainable by these methods.

  本发明涉及式(I)的取代4-亚甲基-四氢吡喃、4-甲基-二氢吡喃和4-甲基-四氢吡喃，其中变量如权利要求和描述中所定义的那样，以及其立体异构体、其立体异构体的混合物、不同二氢吡喃和四氢吡喃(I)的混合物，以及至少含有一种二氢吡喃(I)和至少含有一种环状缩醛的混合物，该环状缩醛是一种1,3-二氧杂环戊二烷，其2-位置携带异丁醇-2-基（衍生）取代基，在4,4-或5,5-位置携带两个甲基取代基。该发明还涉及将这些化合物用作香气化学品和/或用于修改和/或增强组合物的香气，包括这些化合物的组合物，制备这些化合物的方法以及通过这些方法得到的产品。