2,4-Dimethylbenzyl alcohol
기본 정보
- CAS
16308-92-2- 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 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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.
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