3,5-디메틸벤질알코올

3,5-Dimethylbenzyl alcohol

HCID 33706

기본 정보

CAS: 27129-87-9
표준 SMILES: Cc1cc(C)cc(CO)c1
InChIKey: IQWWTJDRVBWBEL-UHFFFAOYSA-N
분자식: C9H12O
평균 분자량: 136.19 g/mol
단동위원소 질량: 136.088815

개요

3,5-dimethylbenzyl alcohol is a methylbenzyl alcohol that is benzyl alcohol substituted by methyl groups at positions 3 and 5. It has a role as a plant metabolite. It is a methylbenzyl alcohol and an aromatic primary alcohol.

이름 및 식별자

우선 이름: 3,5-Dimethylbenzyl alcohol
IUPAC: (3,5-dimethylphenyl)methanol
현지명: 3,5-디메틸벤질알코올
영어명: 3,5-Dimethylbenzyl alcohol
분자식: C9H12O
분자량: 136.19

이름 및 동의어

27129-87-93,5-DIMETHYLBENZYL ALCOHOLBenzenemethanol, 3,5-dimethyl-EINECS 248-241-2DTXSID30181593RefChem:487022DTXCID70104084248-241-2(3,5-Dimethylphenyl)methanol3,5-Dimethylbenzenemethanol3,5-DimethylbenzylalcoholMFCD00004648

이름 더 보기

3,5-디메틸벤질알코올RARECHEM AL BD 0341(3,5-Dimethylphenyl)3,5-dimethylbenzylol3,5-DI METHYL BENZYL ALCHOL3,5-Dimethylbenzylalcohol,99%

Benzyl alcohol, 3,5-dimethyl-1-(Hydroxymethyl)-3,5-dimethylbenzene7UXP4Z8EX9SCHEMBL929653,5-Dimethyl benzyl alcohol3,5-Dimethyl-1-hydroxymethylbenzeneAKOS009157538CS-0153260

데이터베이스 식별자

CAS: 27129-87-9
PubChem CID: 33706
DTXSID: DTXSID30181593
ChEBI: CHEBI:231518
UNII: 7UXP4Z8EX9
EC Number: 248-241-2

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: 90.9

물리화학적 성질

끓는 점: 218 · 218-221 °C (lit.)
밀도: 0.927 g/mL · 0.927 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.531(lit.)
인화점: 224 °F · 224 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 14 · 14+-.0.10(Predicted)
Specific Gravity: 0.927 · 0.927
BRN: 2077285 · 2077285
Henry's Law Constant: 1.3 · 1.3×101 mol/(m3Pa) at 25℃, Wang et al. (2017)
InChI: InChI=1S/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3
InChIKey: IQWWTJDRVBWBEL-UHFFFAOYSA-N
SMILES: C1(CO)=CC(C)=CC(C)=C1
LogP: 2.165 · 2.165 (est)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

안전 데이터

wgk: 3
HS 번호: 29062990
safety_code: 24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도3,5-Dimethylbenzyl Alcohol is used in preparation of Aromatic Aldehyde.

일반 설명3,5-Dimethylbenzyl alcohol undergoes linear polymerization to form 1,3,5,7-tetramethyl-9,10-dihydro-anthracene.

상·하류 제품 정보

하류 제품

3,5-디메틸벤즈알데히드

공급사96 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海策嵘生物科技有限公司[email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

화합물 노트

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기본 정보

CAS: 27129-87-9
표준 SMILES: Cc1cc(C)cc(CO)c1
InChIKey: IQWWTJDRVBWBEL-UHFFFAOYSA-N
분자식: C9H12O
평균 분자량: 136.19 g/mol
단동위원소 질량: 136.088815

개요