2,4-Dimethylbenzyl alcohol

HCID 27809CAS 16308-92-2

기본 정보

표준 SMILES: Cc1ccc(CO)c(C)c1
InChIKey: QUIMJTKRVOBTQN-UHFFFAOYSA-N
분자식: C9H12O
평균 분자량: 136.19 g/mol
단동위원소 질량: 136.088815

개요

2,4-dimethylbenzyl alcohol is a methylbenzyl alcohol that is benzyl alcohol substituted by methyl groups at positions 2 and 4. It has a role as a xenobiotic metabolite and a rat metabolite. It is a methylbenzyl alcohol and an aromatic primary alcohol.

이름 및 식별자

우선 이름: 2,4-Dimethylbenzyl alcohol
IUPAC: (2,4-dimethylphenyl)methanol
영어명: 2,4-Dimethylbenzyl alcohol
분자식: C9H12O
분자량: 136.19

이름 및 동의어

16308-92-22,4-DIMETHYLBENZYL ALCOHOLBenzenemethanol, 2,4-dimethyl-EINECS 240-393-8AI3-21159DTXSID90167510RefChem:443777DTXCID4090001240-393-8(2,4-Dimethylphenyl)methanol2,4-Dimethylbenzenemethanol(2,4-Dimethyl-phenyl)-methanol

이름 더 보기

RARECHEM AL BD 00482,4-DIMETHYLPHENYL METHANOL2,4-DimethylbenzylAlcohol>Benzyl alcohol, 2,4-dimethyl-2,4-Dimethylbenzyl alcohol,90%

MFCD00004624Benzyl alcohol, 2,4-dimethyl-2,4 -dimethylbenzyl alcoholAKOS000249316CS-0128392EN300-140495SCHEMBL95786SCHEMBL95787

데이터베이스 식별자

CAS: 16308-92-2
PubChem CID: 27809
DTXSID: DTXSID90167510
ChEBI: CHEBI:231516
EC Number: 240-393-8
Nikkaji: J101.201K

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 101

물리화학적 성질

녹는점: 22 °C · 22°C
끓는 점: 120 °C13 · 120 °C13 mm Hg(lit.)
밀도: 1.031 · 1.0310
굴절률: 20 · n20/D 1.534(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 녹은 후에 액체
산도 계수 (pKa): 14.5 · 14.50±0.10(Predicted)
색상: 무색투명~미황색
BRN: 1859679 · 1859679
LogP: 2.049 · 2.049 (est)

화학적 성질

clear colorless to slightly yellow

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzenemethanol, 2,4-dimethyl-

Benzenemethanol, 2,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29062990
safety_code: 24/25

화학 및 산업

응용 분야

용도2,4-Dimethylbenzyl alcohol is an aryl alcohol that can be used in the preparation of aldehydes, ketones and esters by oxidation reactions. It is also used in the preparation of thermoplastic polymers.