이소옥타데칸올

Isostearyl Alcohol EX

HCID 62825CAS 27458-93-1

기본 정보

표준 SMILES: CC(C)CCCCCCCCCCCCCCCO
InChIKey: WNWHHMBRJJOGFJ-UHFFFAOYSA-N
분자식: C18H38O
평균 분자량: 270.5 g/mol
단동위원소 질량: 270.29226584

개요

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.

이름 및 식별자

우선 이름: Isostearyl Alcohol EX
IUPAC: 16-methylheptadecan-1-ol
현지명: 이소옥타데칸올
영어명: Isostearyl alcohol
분자식: C18H38O
분자량: 270.49

이름 및 동의어

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

이름 더 보기

이소옥타데칸올아이소스테아릴알코올이소스테아릴알코올Pro-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 8.1
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 15
무거운 원자 수: 19
형식 전하: 0
복잡도: 154

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other

Cosmetics · 2건

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

물리화학적 성질

끓는 점: 343 ℃[at · 343℃[at 101 325 Pa]
굴절률: 20 · n20/D 1.451
산도 계수 (pKa): 15.8 · 15.8[at 20 ℃]
화장품 원료 기능: 피부 컨디셔닝 - 보습제피부 컨디셔닝점도 조절
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: Isooctadecanol (27458-93-1)

화학적 성질

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].

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 5건

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%)

독성 정보

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