基本情報
- 標準SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC- InChIKey
FPVVYTCTZKCSOJ-UHFFFAOYSA-N- 分子式
- C38H74O4
- 平均分子量
- 595 g/mol
- 単同位体質量
- 594.55871084
名称と識別子
- 優先名称
- Glycol Distearate
- IUPAC
- 2-octadecanoyloxyethyl octadecanoate
- 現地名
- 1,2-エタンジオールジステアラート
- 英語名
- Ethylene glycol distearate
- 分子式
- C38H74O4
- 分子量
- 594.99
名称と別名
名称をさらに表示
データベース識別子
- CAS
627-83-8- PubChem CID
- 61174
- DTXSID
DTXSID6027260- ChEMBL
CHEMBL2106683- ChEBI
CHEBI:177103- UNII
- 13W7MDN21W
- EC Number
- 211-014-3
- Nikkaji
- J6.872A
物性
構造計算による物性
- XLogP
- 16.8
- 極性表面積
- 52.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 37
- 重原子数
- 42
- 形式電荷
- 0
- 複雑度
- 499
実験および物理化学的性質
Physical Description
Dry Powder; Other Solid; Large Crystals; Large Crystals; Liquid; Liquid
Solid
物理化学的性質
- 融点
- 79 °C · 79°C
- 沸点
- 567.52 °C · 567.52°C (rough estimate)
- 比重(密度)
- 0.8581 · 0.8581
- 屈折率
- 1.476 · 1.4760 (estimate)
- 貯蔵温度
- Store at room temperature
- 外見
- solid
- 化粧品成分の機能
- 界面活性剤 - 乳化剤不透明剤皮膚コンディショニング剤 - 保湿剤粘度制御スキンコンディショニング
- InChI
- InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
- InChIKey
- FPVVYTCTZKCSOJ-UHFFFAOYSA-N
- SMILES
- C(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
- LogP
- 16.525 · 16.525 (est)
- EPAの化学物質情報
- Ethylene glycol distearate (627-83-8)
化学的性質
化学的特性Beads
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (485 of 485) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 485 of 485 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 485 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 485 of 485 reports by companies.;There are 0 notifications provided by 0 of 485 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Octadecanoic acid, 1,1â²-(1,2-ethanediyl) ester
Octadecanoic acid, 1,1'-(1,2-ethanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoic acid, 1,1'-(1,2-ethanediyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 02-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10129
Octadecanoic acid, 1,2-ethanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
毒性情報
法規制情報
Regulatory Information
Chemical: Octadecanoic acid, 1,1â²-(1,2-ethanediyl) ester
Octadecanoic acid, 1,1'-(1,2-ethanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoic acid, 1,1'-(1,2-ethanediyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 02-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10129
Octadecanoic acid, 1,2-ethanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- WGK 1
- tsca
- TSCA listed
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
用途と製造
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Cosmetics -> Skin conditioning; Opacifying; Emollient; Viscosity controlling; Emulsifying
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing;Plastics Material and Resin Manufacturing;Not Known or Reasonably Ascertainable;Petroleum Lubricating Oil and Grease Manufacturing;Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Octadecanoic acid, 1,1'-(1,2-ethanediyl) ester: ACTIVE
応用分野
使用Ethylene glycol distearate is suggested for use as an opacifier, pearlescing agent and viscosity modifier in cosmetic formulations and household product formulations.
調製方法
純化方法Crystallise the ester from *benzene/MeOH, diethyl ether/MeOH or Me2CO and dry it in a vacuum desiccator. It forms an inclusion compound with 31 mols of urea. [McGreer et al. J Am Chem Soc 74 3541 1952, Beilstein 2 H 380, 2 II 354, 2 III 1021, 2 IV 1223.]
上流・下流製品情報
下流製品
サプライヤー50 社
補足説明
定義本品は、ステアリン酸(*)とグリコール(*)のジエステルであり、次の化学式で表される。参照表示名称:ステアリン酸, グリコール
定義Pearlizing agents.
関連反応
関連ノート
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