(3-페닐옥시라닐)메탄올

(3-Phenyloxiranyl)methanol

HCID 89553CAS 104196-23-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCC1OC1c1ccccc1
InChIKey: PVALSANGMFRTQM-UHFFFAOYSA-N
분자식: C9H10O2
평균 분자량: 150.17 g/mol
단동위원소 질량: 150.06807956

개요

(3-phenyloxiran-2-yl)methanol is a member of benzenes.

이름 및 식별자

우선 이름: (3-Phenyloxiranyl)methanol
IUPAC: (3-phenyloxiran-2-yl)methanol
현지명: (3-페닐옥시라닐)메탄올
영어명: (3-phenyloxiranyl)methanol
분자식: C9H10O2
분자량: 150.17

이름 및 동의어

(3-Phenyloxiranyl)methanolEINECS 244-661-5RefChem:400511244-661-5(3-phenyloxiran-2-yl)methanol21915-53-72-Oxiranemethanol,3-phenyl-Oxiranemethanol, 3-phenyl-(3-Phenyl-2-oxiranyl)methanol(3-phenyl-oxiran-2-yl)-methanol98819-68-2(2R,3R)-3-Phenylglycidol

이름 더 보기

(3-페닐옥시라닐)메탄올3-Phenyloxiranemethanol3-Phenylglycidyl alcohol

(2S,3S)-(-)-3-PhenylglycidolMFCD00618555((2R,3R)-3-phenyloxiran-2-yl)methanol104196-23-83-phenyl-2-Oxiranemethanol[(2R,3R)-3-phenyloxiran-2-yl]methanol2-oxiranemethanol, 3-phenyl-US8815951, Epoxide Hydrolase Inhibitor 19

데이터베이스 식별자

CAS: 104196-23-8、21915-53-7
PubChem CID: 89553
DTXSID: DTXSID10871329
ChEMBL: CHEMBL3661414
ChEBI: CHEBI:193678
EC Number: 244-661-5、625-708-2
Nikkaji: J225.483B

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 32.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 130

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: 26.5 °C · 26.5°C
끓는 점: 231.72 °C · 231.72°C (rough estimate)
밀도: 1.1512 · 1.1512
굴절률: 1.5427 · 1.5427 (estimate)
산도 계수 (pKa): 14.44 · 14.44±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

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