基本情報
- CAS
17671-27-1- 標準SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC- InChIKey
NJIMZDGGLTUCPX-UHFFFAOYSA-N- 分子式
- C44H88O2
- 平均分子量
- 649.2 g/mol
- 単同位体質量
- 648.67843205
概要
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
名称と識別子
- 優先名称
- Behenyl Behenate
- IUPAC
- docosyl docosanoate
- 現地名
- ドコサン酸ドコシル
- 英語名
- BEHENYL BEHENATE
- 分子式
- C44H88O2
- 分子量
- 649.17
名称と別名
Behenyl behenateDocosyl docosanoateDocosanoic acid, docosyl esterdocosanyl docosanoatedocosyl behenatePelemol BBStarfol BBUNII-K8NU647RJ0K8NU647RJ0EINECS 241-646-5Behenic acid behenyl esterDTXSID0066242
名称をさらに表示
ベヘン酸ベヘニルドコサン酸ドコシルベヘン酸（C＝22）ベヘニル（C＝22）ドコシル ドコサノアートDocosyldocosanoatBehenyl Behenate，99%Docosanoicacid,docosylesterBehenyl Behenate(C22:0-C22:0)behenicacidbehenylestercrystalline
EC 241-646-5WE(22:0/22:0)RefChem:116886BEHENYL BEHENATE [INCI]DTXCID4035625NJIMZDGGLTUCPX-UHFFFAOYSA-N17671-27-1Docosanoic acid,docosyl ester
データベース識別子
- CAS
17671-27-1- PubChem CID
- 87221
- DTXSID
DTXSID0066242- UNII
- K8NU647RJ0
- EC Number
- 241-646-5
物性
構造計算による物性
- XLogP
- 21.7
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 42
- 重原子数
- 46
- 形式電荷
- 0
- 複雑度
- 544
実験および物理化学的性質
Chemical ClassesOther Classes -> Esters, Other
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Cosmetics
Cosmetic ingredients (Behenyl Behenate) -> CIR (Cosmetic Ingredient Review)
Emollient
Physical Description
Dry Powder; Large Crystals; Dry Powder; Large Crystals; CBI
Solid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 75 °C · 75 °C
- 沸点
- 627.1 · 627.1±23.0 °C(Predicted)
- 比重(密度)
- 0.856 · 0.856±0.06 g/cm3(Predicted)
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- 貯蔵温度
- 20 °C · −20°C
- 化粧品成分の機能
- スキンコンディショニング皮膚コンディショニング剤 - 保湿剤
- LogP
- 20.51 · 20.51
- EPAの化学物質情報
- Behenyl behenate (17671-27-1)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (221 of 221) of all reports.
Not Classified
Aggregated GHS information provided per 221 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Docosanoic acid, docosyl ester
Docosanoic acid, docosyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Docosanoic acid, docosyl 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)
REACH registered substance: Docosyl docosanoate (EC: 241-646-5)
Docosanoic acid, docosyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Docosanoic acid, docosyl ester: Human health tier I assessment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
毒性情報
Toxicity Summary
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Safe for use in cosmetics, with qualifications
安全データ
化学と産業
用途と製造
UsesCIR ingredient: Behenyl Behenate
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesPigment
Industry UsesOther
Use ClassificationCosmetics -> Emollient
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Docosanoic acid, docosyl ester: ACTIVE
応用分野
用途有機合成原料。
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関連反応
3 件
化合物ノート
読み込み中…