Allylbenzene

HCID 9309CAS 300-57-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=CCc1ccccc1
InChIKey: HJWLCRVIBGQPNF-UHFFFAOYSA-N
분자식: C9H10
평균 분자량: 118.18 g/mol
단동위원소 질량: 118.07825032

개요

allylbenzene has been reported in Alpinia officinarum and Daucus carota with data available.

이름 및 식별자

우선 이름: Allylbenzene
IUPAC: prop-2-enylbenzene
영어명: 2-Propenylbenzene
분자식: C9H10
분자량: 118.1757

이름 및 동의어

ALLYLBENZENE300-57-23-PhenylpropeneProp-2-enylbenzene1-BenzyletheneBenzene, allyl-1-Phenyl-2-propene1-Propene, 3-phenyl-DTXSID00861855RefChem:110901DTXCID70810719206-095-7

이름 더 보기

2-PropenylbenzeneBenzene, 2-propenyl-Allyl benzene(prop-2-en-1-yl)benzeneBenzene, 2-propen-1-yl-MFCD000086513VT7C9MEQ9ALLYLBENZENE-2,3,4,5,6-D5

데이터베이스 식별자

CAS: 300-57-2
PubChem CID: 9309
DTXSID: DTXSID00861855
ChEMBL: CHEMBL501879
UNII: 3VT7C9MEQ9
EC Number: 206-095-7
Nikkaji: J24.323J

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 78

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Hydrocarbons

SpringerMaterials PropertiesBoiling point

LogP3.23

Vapor Pressure1.69 [mmHg]

Physical DescriptionClear light yellow liquid; [Aldrich MSDS]

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (98.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 84 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzene, 2-propenyl-

Allylbenzene: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzene, 2-propenyl-: Environment tier I assessment

Hazards Summary · 1건

Causes somnolence and coma in oral lethal-dose studies of rats; Causes changes in cochlear structure/function and weight loss in 2-week intermittent oral study of rats; [RTECS] May cause irritation; Harmful by ingestion; Aspiration may cause lung damage; [Aldrich MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (98.8%)