CAS 22208-70-4 Hexadecanethiol (HCID 18015)

기본 정보

CAS: 22208-70-4
표준 SMILES: CCCCCCCCCCCCCCCCS
InChIKey: ORTRWBYBJVGVQC-UHFFFAOYSA-N
분자식: C16H34S
평균 분자량: 258.5 g/mol
단동위원소 질량: 258.23812226

개요

1-hexadecanethiol appears as colorless liquid or white solid (below 19 °C) with a strong unpleasant odor. Density (as liquid at 25 °C): 0.83 g/cm3.

이름 및 식별자

우선 이름: Hexadecanethiol
IUPAC: hexadecane-1-thiol
현지명: 1-헥사데칸티올
영어명: Hexadecanethiol
분자식: C16H34S
분자량: 258.51

이름 및 동의어

1-HEXADECANETHIOLhexadecane-1-thiol2917-26-2HexadecanethiolCetyl mercaptanHexadecyl mercaptann-Hexadecyl mercaptann-Hexadecanethiolhexadecylthiol1-Mercaptohexadecanen-hexadecylthiolHexadecanethiol-1

이름 더 보기

1-헥사데칸티올HEXADECYL THIOLCetanethiolMERCAPTAN C161-CETANETHIOLSixteen thiols

QR98QIO1QLNSC 57866NSC-57866DTXSID6062709NSC-229611RefChem:75888DTXCID0037946220-846-6

데이터베이스 식별자

CAS: 22208-70-4、2917-26-2
PubChem CID: 18015
DTXSID: DTXSID6062709
UNII: QR98QIO1QL
EC Number: 220-846-6
Nikkaji: J97.161H

물성

구조 계산 물성

XLogP: 8.3
극성 표면적: 1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 14
무거운 원자 수: 17
형식 전하: 0
복잡도: 123

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Thiols

SpringerMaterials PropertiesBoiling point

Density · 3건

0.85 (NIOSH, 2024) - Less dense than water; will float

Relative density (water = 1): 0.84

0.85

Solubility · 3건

Insoluble (NIOSH, 2024)

Solubility in water: none

Insoluble

Flash Point · 4건

215 °F (NIOSH, 2024)

Flash point =102 °C

135 °C o.c.

215 °F

Melting Point · 3건

64 to 68 °F (NIOSH, 2024)

18 °C

64-68 °F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1-Hexadecanethiol

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

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelClass 9

Fire Hazards · 2건

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Health HazardsExcerpt from NIOSH Pocket Guide for 1-Hexadecanethiol:

Hazards SummarySee THIOLS;

DOT ID and Guide1228 131(liquid)

화학 및 산업

용도 및 제조

Uses1-Hexadecanethiol is used as an intermediate in organic synthesis; in synthetic rubber processing; in surface-active agents; as a polymerization conditioner; and as a corrosion inhibitor.(4,6) [CHEMINFO]

General Manufacturing Information1-Hexadecanethiol: ACTIVE

응용 분야 · 2건

용도1-Hexadecanethiol is used in the study of nanoparticles and self-assembled monolayers. It is also used to prepare thiol-functionalized 1.5 nm gold nanoparticles via a ligand exchange process with triphenylphosphine-stabilized nanoparticles and in the formation of hydrophobic self-assembled monolayers (SAMs). Due to the length of the alkane chain, the resulting monolayer is highly ordered. 1-Hexadecanethiol is also employed in different fields such as biomedicine, chemical industry, also used in electroplating industry and chemical auxiliaries.

일반 설명Colorless liquid or white solid (below 19° C) with a strong unpleasant odor. Density (as liquid at 25°C) 0.83 g cm-3.