(2R,3R)-Butanediol

HCID 225936

기본 정보

CAS: 24347-58-8
표준 SMILES: C[C@@H](O)[C@@H](C)O
InChIKey: OWBTYPJTUOEWEK-QWWZWVQMSA-N
분자식: C4H10O2
평균 분자량: 90.12 g/mol

개요

(R,R)-butane-2,3-diol is the (R,R) diastereoisomer of butane-2,3-diol. It has a role as a Saccharomyces cerevisiae metabolite. It is an enantiomer of a (S,S)-butane-2,3-diol.

이름 및 식별자

우선 이름: (2R,3R)-Butanediol
IUPAC: (2R,3R)-butane-2,3-diol
영어명: NISTC6982258
분자식: C4H10O2
분자량: 90.12

이름 및 동의어

(2R,3R)-butane-2,3-diol24347-58-8(R,R)-Butane-2,3-diol2,3-Butanediol, (-)-(R,R)-2,3-Butylene glycol(R,R)-(-)-Butane-2,3-diol(2r,3r)-butanediolOR02B2286ACHEBI:169822,3-Butanediol, [R-(R*,R*)]-2,3-BUTANEDIOL, (R-(R*,R*))-RefChem:934707

이름 더 보기

NSC 249246NISTC6982258threo-2,3-Butanediol(2R,3R)-rel-2,3-Butanediol

246-186-9(R,R)-2,3-butanediol(2R,3R)-(-)-2,3-Butanediol(2R,3R)-2,3-butanediol(R,R)-(-)-2,3-Butanediol6982-25-8MFCD00064267D-(-)-2,3-Butanediol

데이터베이스 식별자

CAS: 24347-58-8、6982-25-8
PubChem CID: 225936
DTXSID: DTXSID801026532
ChEBI: CHEBI:16982
UNII: 6510BGK6C5、OR02B2286A
EC Number: 246-186-9
Nikkaji: J9.308D

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 30.5

실험 및 물리화학적 성질

LogP0.88

Boiling Point · 2건

77.3-77.4 °C at 1.00E+01 mm Hg

77.00 to 78.00 °C. @ 10.00 mm Hg

Melting Point19.7 °C

Physical DescriptionLiquid

물리화학적 성질

녹는점: 7 · 7-7.5℃
끓는 점: 181 ℃ · 181℃
밀도: 0.997 · 0.997
굴절률: 1.432 · 1.4320
인화점: 85 ℃ · 85℃
산도 계수 (pKa): 14.67 · 14.67±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H315 (20%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.