CAS 71031-03-3 (2S)-2-(phenoxymethyl)oxirane (HCID 1534345)

기본 정보

CAS: 71031-03-3
표준 SMILES: c1ccc(OC[C@@H]2CO2)cc1
InChIKey: FQYUMYWMJTYZTK-SECBINFHSA-N
분자식: C9H10O2
평균 분자량: 150.17 g/mol
단동위원소 질량: 150.06807956

이름 및 식별자

우선 이름: (2S)-2-(phenoxymethyl)oxirane
IUPAC: (2S)-2-(phenoxymethyl)oxirane
영어명: (S)-2-Oxiranylanisole
분자식: C9H10O2
분자량: 150.17

이름 및 동의어

71031-03-3(2S)-2-(phenoxymethyl)oxiraneRefChem:68932615-242-8(S)-Glycidyl phenyl ether(S)-2-(Phenoxymethyl)oxiraneMFCD06659026(s)-2-phenoxymethyloxirane(S)-2-Phenoxymethyl-oxirane(2S)-2-Phenoxymethyl-oxirane(S)-1,2-epoxy-3-phenoxypropane(S)-3-phenoxy-1,2-epoxypropane

이름 더 보기

SPGE(S)-2-OXIRANYLANISOLE(S)-GlycidylPhenylEther>(S)-2-(Phenoxymethyl)oxirane(S)-2-Oxiranylanisole(S)-ALPHA-(2-OXIRANYL)ANISOLE(S)-1,2-Epoxy-3-Phenoxy-propane

DTXSID301308064(2S)-3-phenoxy-1,2-epoxypropaneEN300-4254192(2S)-1,2-Epoxy-3-Phenoxypropane2(S)-phenoxymethyloxirane(s)-phenyl glycidyl etherA804925SCHEMBL1583161

데이터베이스 식별자

CAS: 71031-03-3
PubChem CID: 1534345
DTXSID: DTXSID301308064
EC Number: 615-242-8
Nikkaji: J740.954K

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 21.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 119

물리화학적 성질

밀도: 1.11 · 1.11
굴절률: 1.529 · 1.5290-1.5330
인화점: 71 °C · 71 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
InChI: 1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2/t9-/m1/s1
InChIKey: FQYUMYWMJTYZTK-SECBINFHSA-N
SMILES: C1O[C@@H]1COc2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P203, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

안전 데이터

wgk: 3
HS 번호: 29109000
risk_code: 45-20/21-37/38-41-43-52/53-68
hazard_code: T
safety_code: 53-26-36/37/39-45-61
F 고인화성물질: 10-23
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAquatic Chronic 3Carc. 1BEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

일반 설명The epoxide hydrolase isolated from Bacillus megaterium ECU1001 can preferentially hydrolyze the (R)-enantiomer of racemic phenyl glycidyl ether to yield optically pure (S)-phenyl glycidyl ether.