イソオクタデカノール

Isostearyl Alcohol EX

HCID 62825CAS 27458-93-1

基本情報

標準SMILES: CC(C)CCCCCCCCCCCCCCCO
InChIKey: WNWHHMBRJJOGFJ-UHFFFAOYSA-N
分子式: C18H38O
平均分子量: 270.5 g/mol
単同位体質量: 270.29226584

概要

16-methylheptadecan-1-ol is a long-chain primary fatty alcohol that is heptadecan-1-ol substituted by a hydroxy group at position 1 and a methyl group at position 16. It is functionally related to a heptadecan-1-ol. It derives from a hydride of a heptadecane.

名称と識別子

優先名称: Isostearyl Alcohol EX
IUPAC: 16-methylheptadecan-1-ol
現地名: イソオクタデカノール
英語名: Isostearyl alcohol
分子式: C18H38O
分子量: 270.49

名称と別名

16-Methylheptadecan-1-ol41744-75-616-methylheptadecanol1-Heptadecanol, 16-methyl-W29XHH208CIsostearyl Alcohol EXCHEBI:84911RefChem:1087832255-529-1Isostearyl alcoholIsooctadecanol27458-93-1

名称をさらに表示

アルド66イソステアリルアルコールファインオキソコールイソオクタデシルアルコールイソオクタデカノールオクチルデカノールPro-xylaneisostearylAldo 66Fine oxocolJARCOL 1-18TJARCOL I-18TJARCOL I-18EXJARCOL 1-18CGOCTYL DECANOL

isostearylalcoholIsooctadecyl alcohol16-METHYL-1-HEPTADECANOLIsostearyl alcohol [USAN]Isostearyl alcohol (USAN)Isooctadecan-1-olEINECS 248-470-8UNII-Q613OCQ44Y

データベース識別子

CAS: 27458-93-1、41744-75-6
PubChem CID: 62825
DTXSID: DTXSID80892268
ChEMBL: CHEMBL2107291
ChEBI: CHEBI:84911
UNII: W29XHH208C
EC Number: 248-470-8、255-529-1
Nikkaji: J278.263D

物性

構造計算による物性

XLogP: 8.1
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 15
重原子数: 19
形式電荷: 0
複雑度: 154

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other

Cosmetics · 2 件

Cosmetic ingredients (Isostearyl Alcohol) -> CIR (Cosmetic Ingredient Review)

Emollient; Skin conditioning; Viscosity controlling

FragrancesFragrance Ingredient (Isooctadecan-1-ol) -> IFRA transparency List

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionLiquid

物理化学的性質

沸点: 343 ℃[at · 343℃[at 101 325 Pa]
屈折率: 20 · n20/D 1.451
酸解離定数(Pka): 15.8 · 15.8[at 20 ℃]
化粧品成分の機能: 皮膚コンディショニング剤 - 保湿剤スキンコンディショニング粘度制御
InChI: InChI=1S/C18H38O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3-17H2,1-2H3
InChIKey: WNWHHMBRJJOGFJ-UHFFFAOYSA-N
SMILES: C(CCCCC(C)C)CCCCCCCCCCO
LogP: 7.815 · 7.815 (est)
EPAの化学物質情報: Isooctadecanol (27458-93-1)

化学的性質

化学的特性Isostearyl alcohol is colorless, odorless, does not oxidize, and is nontoxic and nonirritating. It is an ideal replacement for castor oil and oleyl alcohol for the oil phase. It is a branched-chain aliphatic alcohol[1].

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 80.3% (1452 of 1809) of all reports.

Warning

H315 (10.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1809 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 5 件

Chemical: Isooctadecanol

Chemical: 1-Heptadecanol, 16-methyl-

Isooctadecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isooctadecanol 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: 30-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/5497

Isooctadecanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazards SummarySee 1-Dodecanol and 1-Docosanol.

Hazard Classes and CategoriesSkin Irrit. 2 (10.9%)

毒性情報

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

安全データ

wgk: 1
tsca: TSCA listed
risk_code: 36/37/38-38
hazard_code: Xi
safety_code: 26-36

化学と産業

用途と製造

UsesCIR ingredient: Isostearyl Alcohol

U.S. Production2023: <75,000 lb

Consumer UsesLubricating agent

Industry UsesLubricating agent

Household ProductsInformation on 9 consumer products that contain Isostearyl alcohol in the following categories is provided:

Use Classification · 2 件

Fragrance Ingredients

Cosmetics -> Emollient; Skin conditioning; Viscosity controlling

応用分野 · 3 件

用途トリートメント / コンディショナー,クレンジング,化粧水 / 乳液 / クリーム,ファンデーション / 下地,アウトバスヘアケア,UVケア

用途トリートメント / コンディショナー,クレンジング,化粧水 / 乳液 / クリーム,ファンデーション / 下地,口紅 / グロス,アウトバスヘアケア,UVケア

使用isostearyl alcohol is an emollient and viscosity builder derived from isostearic acid. It gives the skin a silky feel after product application.

サプライヤー1 社

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

補足説明

定義本品は、次の化学式で表される分岐脂肪酸アルコールである。