베타-메틸 스티렌

trans-beta-METHYLSTYRENE

HCID 252325

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 637-50-3
표준 SMILES: C/C=C/c1ccccc1
InChIKey: QROGIFZRVHSFLM-QHHAFSJGSA-N
분자식: C9H10
평균 분자량: 118.18 g/mol
단동위원소 질량: 118.07825032

개요

Isoallylbenzene is a member of styrenes.

이름 및 식별자

우선 이름: trans-beta-METHYLSTYRENE
IUPAC: [(E)-prop-1-enyl]benzene
현지명: 베타-메틸 스티렌
영어명: TRANS-BETA-METHYLSTYRENE
분자식: C9H10
분자량: 118.18

이름 및 동의어

trans-beta-Methylstyrene873-66-5(E)-1-Phenylpropenebenzene, (1E)-1-propenyl-trans-Propenyl benzeneStyrene, beta-methyl-, (E)-beta-Methylstyrene, trans-A5S9N1785ONSC-73958DTXSID101026543RefChem:1100256DTXCID80210822

이름 더 보기

메틸(트랜스-베타-)스티렌트랜스-베타-메틸스타이렌베타-메틸스티렌트랜스-베타메틸스티렌트랜스-1-프로페닐벤젠trans-β-methylstyreneTRANS-B-METHYLSTYRENEPROPENYLBENZENE1-PROPENYLBENZENEB-METHYLSTYRENEtrans-1-phenylpropenetrans-1-phenyl-propene(E)-1-phenylprop-1-enetrans-beta-Methylstyrene, stabilized, 97%trans-beta-methyl

212-848-01-Phenylpropenetrans-1-Phenyl-1-propeneProp-1-en-1-ylbenzene[(E)-prop-1-enyl]benzene1-Phenyl-1-propenetrans-Propenylbenzenetrans-1-Propenylbenzene

데이터베이스 식별자

CAS: 637-50-3、873-66-5
PubChem CID: 252325
DTXSID: DTXSID101026543
ChEMBL: CHEMBL506013
ChEBI: CHEBI:229144
UNII: A5S9N1785O
EC Number: 212-848-0
Nikkaji: J2.100H、J54.347K

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: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 86.2

실험 및 물리화학적 성질

LogP · 2건

3,31

3.35

DensityRelative density (water = 1): 0.911

SolubilitySolubility in water, g/100ml at 25 °C: 0.014 (very poor)

Flash Point52 °C

Boiling Point175 °C

Melting Point-29 °C

물리화학적 성질

녹는점: -29 °C · -29°C(lit.)
끓는 점: 175 °C · 175 °C(lit.)
밀도: 0.911 g/mL · 0.911 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.550(lit.)
인화점: 127 °F · 127 °F
저장 조건: 2 · 2-8°C
수용성: 물에 불용성
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태: 액체
색상: 투명한 무색~매우 희미한 노란색
BRN: 1361672 · 1361672
Henry's Law Constant: 2.9 · 2.9×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008)
Dielectric constant: 2.73 · 2.73
안정성: 감광성
InChI: 1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
InChIKey: QROGIFZRVHSFLM-QHHAFSJGSA-N
SMILES: C\C=C\c1ccccc1
EPA: trans-Propenylbenzene (873-66-5)

화학적 성질

clear colourless to very faintly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P331, P332+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Fire HazardsFlammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 52 °C explosive vapour/air mixtures may be formed.

UN ClassificationUN Hazard Class: 3; UN Pack Group: III

Chemical DangersThe substance may polymerize. Decomposes on burning. This produces toxic fumes. Reacts with strong oxidants.

Physical DangersThe vapour is heavier than air.

Packaging and LabellingMarine pollutant.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 및 보호

Fire FightingUse water spray, powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4건

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth.

Safe StorageStore only if stabilized. Fireproof. Well closed. Separated from strong oxidants. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access.

Spillage Disposal · 1건

Remove all ignition sources. Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT let this chemical enter the environment.

Eye PreventionWear safety spectacles.

Fire PreventionNO open flames, NO sparks and NO smoking. Above 52 °C use a closed system, ventilation and explosion-proof electrical equipment.

독성 정보

Signs and Symptoms · 3건

Cough. Sore throat.

Redness.

ICSC Environmental DataThe substance is toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment.

안전 데이터

wgk: 2
rtecs: DA8400500
ridadr: UN 2618 3/PG 3
HS 번호: 29029000
risk_code: 10-37/38-41-43-51/53-65
hazard_code: Xn,N
safety_code: 16-26-36/37/39-61-62
포장분류: III
위험 등급: 3.2
Hazard Classifications: Asp. Tox. 1Eye Dam. 1Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Metabolism/MetabolitesBeta-methylstyrene has known human metabolites that include 2-methyl-3-phenyloxirane and Cinnamyl alcohol.

응용 분야

용도Trans-β-methylstyrene was used in the epoxidation reaction of an oxidant solution with a solution of dichloromethane, where nickel is used as a catalyst and benzyltributylammonium bromide as a phase-transfer agent.

일반 설명The product exhibits potential exothermic hazards at higher temperatures.