2-Hexyl-1-decanol (HCID 95337)

概要

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

名称と識別子

優先名称: 2-Hexyl-1-decanol
IUPAC: 2-hexyldecan-1-ol
現地名: 2-ヘキシル-1-デカノール
英語名: 2-Hexyl-1-decanol
分子式: C16H34O
分子量: 242.44

名称と別名

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

名称をさらに表示

2-ヘキシルデカン-1-オール2-ヘキシル-1-デカノール2-ヘキシルデシルアルコール2-Hexyl-decan-1-ol2-hexyl-1-decanoEA4892-HexyLC610-OHNSC 2399-1-decanoLGuerbet C16

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

データベース識別子

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

物性

構造計算による物性

XLogP: 7
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: 13
重原子数: 17
形式電荷: 0
複雑度: 133

実験および物理化学的性質

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 · 2 件

Liquid

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

物理化学的性質

融点: -21 · -21--15 °C (lit.)
沸点: 193 · 193-197 °C/33 mmHg (lit.)
比重(密度): 0.836 g/mL · 0.836 g/mL at 25 °C (lit.)
蒸気圧: 0.4 Pa · 0.4Pa at 148.85℃
屈折率: 20 · n20/D 1.449(lit.)
闪点: 113 °C · 113 °C
貯蔵温度: Refrigerator
溶解性: ベンゼン（少々）、クロロホルム（少々）、メタノール（少々）
酸解離定数(Pka): 15.08 · 15.08±0.10(Predicted)
外見: 油
色: 無色透明
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
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の化学物質情報: 1 · 1-Decanol, 2-hexyl-(2425-77-6)
EPAの化学物質情報: 1 · 1-Decanol, 2-hexyl- (2425-77-6)

安全と法規制

GHS分類

GHS Classification · 3 件

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.

危険有害性情報

Regulatory Information · 5 件

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

安全データ

wgk: nwg
tsca: TSCA listed
hs_code: 2905.19.9090
化審法: (2)-217
消防法: 危-4-3-III
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

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 · 2 件

Fragrance Ingredients

Cosmetics -> Skin conditioning; Humectant; Solvent

応用分野 · 2 件

使用2-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).

一般的な説明2-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.