2-Hexyl-1-decanol (HCID 95337)

개요

2-hexyl-1-Decanol is an aliphatic alcohol.

이름 및 식별자

우선 이름: 2-Hexyl-1-decanol
IUPAC: 2-hexyldecan-1-ol
현지명: 2-HEXYLDECAN-1-OL (2-핵실데칸-1-올)
영어명: 2-Hexyl-1-decanol
분자식: C16H34O
분자량: 242.44

이름 및 동의어

2-Hexyl-1-decanol2425-77-6Hexyldecanol1-Decanol, 2-hexyl-Guerbitol 16Rilanit G 16Isofol 16DTXSID1041265NJCOL 160151Z7P1317NSC-2399DTXCID9021265

이름 더 보기

2-HEXYLDECAN-1-OL (2-핵실데칸-1-올)2-헥실데칸-1-올헥실데칸올2-헥실-1-데칸올2-Hexyl-decan-1-ol2-hexyl-1-decanoEA4892-HexyLC610-OHNSC 2399-1-decanoLGuerbet C16

isopalmityl alcoholRefChem:472905STANDAMUL GT 16DTXCID70254614219-370-1DTXSID003034822-Hexyldecan-1-ol2-Hexyldecanol

데이터베이스 식별자

CAS: 2425-77-6
PubChem CID: 95337
DTXSID: DTXSID1041265
ChEMBL: CHEMBL3560208
ChEBI: CHEBI:183266
UNII: 151Z7P1317
EC Number: 219-370-1
Nikkaji: J216.071D

물성

구조 계산 물성

XLogP: 7
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 13
무거운 원자 수: 17
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other

CosmeticsSkin conditioning; Humectant; Solvent

FragrancesFragrance Ingredient (1-_Decanol, 2-_hexyl-) -> IFRA transparency List

Endocrine DisruptorsPotential endocrine disrupting compound

Physical Description · 2건

Liquid

Colorless oily liquid with a mild sweet odor; [Sasol MSDS]

물리화학적 성질

녹는점: -21 · -21--15 °C (lit.)
끓는 점: 193 · 193-197 °C/33 mmHg (lit.)
밀도: 0.836 g/mL · 0.836 g/mL at 25 °C (lit.)
증기압: 0.4 Pa · 0.4Pa at 148.85℃
굴절률: 20 · n20/D 1.449(lit.)
인화점: 113 °C · 113 °C
저장 조건: Refrigerator
용해도: 벤젠(난용성), 클로로포름(난용성), 메탄올 (약간 용해됨)
산도 계수 (pKa): 15.08 · 15.08±0.10(Predicted)
물리적 상태: 기름
색상: 투명 무색
화장품 원료 기능: 피부 컨디셔닝피부 컨디셔닝 - 보습제
InChI: 1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3
InChIKey: XULHFMYCBKQGEE-UHFFFAOYSA-N
SMILES: CCCCCCCCC(CO)CCCCCC
LogP: 6.66 at · 6.66 at 20℃
NIST: 1 · 1-Decanol, 2-hexyl-(2425-77-6)
EPA: 1 · 1-Decanol, 2-hexyl- (2425-77-6)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 99.4% (351 of 353) of all reports.

Not Classified

Aggregated GHS information provided per 353 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 5건

Chemical: 1-Decanol, 2-hexyl-

1-Decanol, 2-hexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Decanol, 2-hexyl- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 08-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5585

1-Decanol, 2-hexyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn eye, nose, and throat irritant; Inhalation may cause dizziness and headache; [Sasol MSDS]

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: nwg
tsca: TSCA listed
HS 번호: 2905.19.9090
기존화학 물질: KE-19912
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA]

U.S. Production2023: 5,000,000 - <10,000,000 lb

Consumer UsesLubricating agent

Industry UsesNot Known or Reasonably Ascertainable

Household ProductsInformation on 2 consumer products that contain Hexyldecanol in the following categories is provided:

Use Classification · 2건

Fragrance Ingredients

Cosmetics -> Skin conditioning; Humectant; Solvent

응용 분야 · 2건

용도2-Hexyl-1-decanol may be employed as an organic solvent to study the extraction of non-polar acidic drugs from human plasma by parallel artificial liquid membrane extraction (PALME).

일반 설명2-Hexyl-1-decanol is a branched alcohol. It is one of the constituent of the essential oil, extracted from the roots of Adiantum flabellulatum. It is a long-chain glass forming monohydroxy alcohol and its dielectric relaxation at low temperature has been studied.