4-N-부틸벤잘데하이드

4-Butylbenzaldehyde

HCID 70988CAS 1200-14-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCc1ccc(C=O)cc1
InChIKey: ARIREUPIXAKDAY-UHFFFAOYSA-N
분자식: C11H14O
평균 분자량: 162.23 g/mol
단동위원소 질량: 162.10446507

이름 및 식별자

우선 이름: 4-Butylbenzaldehyde
IUPAC: 4-butylbenzaldehyde
현지명: 4-N-부틸벤잘데하이드
영어명: 4-n-Butylbenzaldehyde
분자식: C11H14O
분자량: 162.23

이름 및 동의어

4-Butylbenzaldehyde1200-14-2Benzaldehyde, 4-butyl-p-ButylbenzaldehydeSX6J8M5Z5HEINECS 214-851-2BENZALDEHYDE, P-BUTYL-DTXSID0061616ARIREUPIXAKDAY-UHFFFAOYSA-RefChem:520630DTXCID0033544214-851-2

이름 더 보기

4-N-부틸벤잘데하이드butylbenzaldehydeSKL0904-butyl-benzaldehyd4-Butylbenzaldehyde,99%4-Butylbenzaldehyde >(1R,2R,4S,4aR,6aR,6aS,6bR,8aR,9R,12aR,14bS)-4-hydroxy-9-(hydroxymethyl)-1,4a,6a,6b,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-2-carboxylic acid methyl ester

InChI=1/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H34-N-BUTYLBENZALDEHYDEMFCD00040751p-n-Butylbenzaldehyde4-butylbenzaldehyd4-butyl-benzaldehydep-butyl-benzaldehyde, hUNII-SX6J8M5Z5H

데이터베이스 식별자

CAS: 1200-14-2
PubChem CID: 70988
DTXSID: DTXSID0061616
ChEMBL: CHEMBL242748
UNII: SX6J8M5Z5H
EC Number: 214-851-2
Nikkaji: J150.371E

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 123

물리화학적 성질

녹는점: -43 °C · -43°C
끓는 점: 250 · 250-263 °C(lit.)
밀도: 0.968 g/mL · 0.968 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.522(lit.)
인화점: 96 · 96-98°C/5mm
저장 조건: 2 · 2-8°C, stored under nitrogen
물리적 상태: 투명한 액체
색상: 무색~황색
BRN: 2208267 · 2208267
InChI: 1S/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3
InChIKey: ARIREUPIXAKDAY-UHFFFAOYSA-N
SMILES: CCCCc1ccc(C=O)cc1
EPA: 4 · Benzaldehyde, 4-butyl- (1200-14-2)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2912290090
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids