3,5-디메틸벤즈알데히드

Benzaldehyde, 3,5-dimethyl-

HCID 34225CAS 5779-95-3

기본 정보

표준 SMILES: Cc1cc(C)cc(C=O)c1
InChIKey: NBEFMISJJNGCIZ-UHFFFAOYSA-N
분자식: C9H10O
평균 분자량: 134.17 g/mol
단동위원소 질량: 134.07316494

개요

3,5-dimethylbenzaldehyde is a member of the class of benzaldehydes that is benzaldehyde substituted by methyl groups at positions 3 and 5, respectively. It has a role as a plant metabolite and a human metabolite. It is a member of benzaldehydes and a methylbenzene.

이름 및 식별자

우선 이름: Benzaldehyde, 3,5-dimethyl-
IUPAC: 3,5-dimethylbenzaldehyde
현지명: 3,5-디메틸벤즈알데히드
영어명: 3,5-Dimethylbenzaldehyde
분자식: C9H10O
분자량: 134.18

이름 및 동의어

3,5-Dimethylbenzaldehyde5779-95-3Benzaldehyde, 3,5-dimethyl-DTXSID00206484RefChem:561338Benzaldehyde, 3,5dimethylDTXCID00128975675-424-8MFCD00082777m-Xylene-5-carboxaldehyde3,5-dimehtylbenzaldehyde3,5-Dimethylbenzaldehyde #

이름 더 보기

3,5-디메틸벤즈알데히드3,5-Dimethylbenzaldehyde>3,5-DIMETHYLBENZALDEHYDE 99+%3,5-Dimethylbenzaldehyde, 97+%3,5-Dimethylbenzaldehyde, 98+%

3,5-Dimethylbenzaldehyde, 97%AKOS005259237HY-W002343GS-3349SY017857D3498EN300-55729Z838973254

데이터베이스 식별자

CAS: 5779-95-3
PubChem CID: 34225
DTXSID: DTXSID00206484
ChEBI: CHEBI:231520
EC Number: 675-424-8
Nikkaji: J358.304J

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzaldehydes

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 8 · 8-10 °C
끓는 점: 232 °C · 232 °C (lit.)
밀도: 0.998 g/mL · 0.998 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.538(lit.)
인화점: 210 °F · 210 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
수용성: 물과 섞이지 않습니다.
BRN: 2038840 · 2038840
Henry's Law Constant: 1.2 · 1.2×100 mol/(m3Pa) at 25℃, Wang et al. (2017)
InChI: InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3
InChIKey: NBEFMISJJNGCIZ-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(C)=CC(C)=C1
LogP: 2.56 · 2.560 (est)
NIST: 3 · Benzaldehyde, 3,5-dimethyl-(5779-95-3)

화학적 성질

clear colorless to yellow liquid

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

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29122990
risk_code: 22
hazard_code: Xn
safety_code: 24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도3,5-Dimethylbenzaldehyde is used to produce 2,3-bis-(3,5-dimethyl-phenyl)-succinonitrile by heating along with reagent NaCN and solvent H2O, methanol.

상·하류 제품 정보

상류 원료

Benzene, 1-(iodomethyl)-3,5-dimethyl-N-methoxy-N,3,5-trimethylbenzamide 1-Iodo-3,5-dimethylbenzene 3,5-디메틸벤질알코올 3,5-디메틸벤질브로마이드 carbon monoxide 1,3,5-트라이메틸벤젠 3-자일렌

하류 제품

메틸3,5-다이메틸벤조에이트 1-에틸-3,5-디메틸-벤젠 3,5-디메틸벤조산

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

山东普创医药科技有限公司18953403321 · [email protected]

上海策嵘生物科技有限公司[email protected]

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