1,3-Propanediol, 2-methylene-

HCID 77048CAS 3513-81-3

기본 정보

표준 SMILES: C=C(CO)CO
InChIKey: JFFYKITVXPZLQS-UHFFFAOYSA-N
분자식: C4H8O2
평균 분자량: 88.11 g/mol
단동위원소 질량: 88.0524295

이름 및 식별자

우선 이름: 1,3-Propanediol, 2-methylene-
IUPAC: 2-methylidenepropane-1,3-diol
영어명: 2-Methylene-1,3-propanediol
분자식: C4H8O2
분자량: 88.11

이름 및 동의어

3513-81-32-Methylene-1,3-propanediol1,3-Propanediol, 2-methylene-EINECS 222-516-7DTXSID7063055RefChem:72940DTXCID70389472-Methylenepropane-1,3-diol2-methylidenepropane-1,3-diolMFCD000751622-methylenepropan-1,3-diol1,3-Hydroxy-2-methylenepropane

이름 더 보기

2-Methylene-12-methylene-3-propanediol1-（4-pyridinyl) acetone2-Methylene-1,3-propanediol>2-Methylene-1,3-propanediol 97%2-METHYLENE-1,3-PROPANEDIOL,97+%

2-Methylene-1,3-propanediol, 97%SY009429M2473Dimethylol EthylenePB2FT-0634884YVG2NNQ7K22-methylene1,3-propanediol

데이터베이스 식별자

CAS: 3513-81-3
PubChem CID: 77048
DTXSID: DTXSID7063055
UNII: YVG2NNQ7K2
EC Number: 222-516-7
Nikkaji: J216.163J

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 43.5

물리화학적 성질

끓는 점: 93 · 93-95 °C/2 mmHg (lit.)
밀도: 1.081 g/mL · 1.081 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.473(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 14.14 · 14.14±0.10(Predicted)
물리적 상태: 점성 액체
색상: 무색~담황색 투명
BRN: 1737653 · 1737653
InChI: InChI=1S/C4H8O2/c1-4(2-5)3-6/h5-6H,1-3H2
InChIKey: JFFYKITVXPZLQS-UHFFFAOYSA-N
SMILES: C(O)C(=C)CO
EPA: 1 · 1,3-Propanediol, 2-methylene- (3513-81-3)

화학적 성질

clear colorless to pale yellow viscous liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.