기본 정보
- CAS
4254-15-3- 표준 SMILES
C[C@H](O)CO- InChIKey
DNIAPMSPPWPWGF-VKHMYHEASA-N- 분자식
- C3H8O2
- 평균 분자량
- 76.09 g/mol
- 단동위원소 질량
- 76.0524295
개요
(S)-propane-1,2-diol is a propane-1,2-diol. It has a role as an Escherichia coli metabolite and a human metabolite. It is an enantiomer of a (R)-propane-1,2-diol.
이름 및 식별자
- 우선 이름
- (S)-propane-1,2-diol
- IUPAC
- (2S)-propane-1,2-diol
- 현지명
- 프로판디올(S-1,2)
- 영어명
- (S)-(+)-1,2-Propanediol
- 분자식
- C3H8O2
- 분자량
- 76.09
이름 및 동의어
(S)-(+)-1,2-Propanediol(S)-Propane-1,2-diol(2S)-propane-1,2-diol(S)-1,2-Propanediol(S)-Propylene glycol(S)-(+)-Propylene GlycolPropylene glycol, (S)-(+)-1,2-Propanediol(S)-1,2-dihydroxypropane942194N4TDD-PROPYLENE GLYCOL(S)-1,2-propane-diol
이름 더 보기
(S)-(+)-프로필렌글리콜프로판디올(S-1,2)(S)-(\+)-프로필렌 글리콜(S)-(+)-1,2-프로판디올(2S)-1,2-PropanediolS-1,2-Propancdiol(S)-(+)-PROPANEDIOL1,2-Propanediol, (S)-PROPYELENE GLYCOL pure
(S)-2-HYDROXYPROPANOLCHEBI:29002DTXSID501009430(S)-2-HYDROXY-1-PROPANOLPROPYLENE GLYCOL D-FORM [MI]L-1,2-propanediolRefChem:4082151,2Propanediol, (2S)
데이터베이스 식별자
- CAS
4254-15-3- PubChem CID
- 439846
- DTXSID
DTXSID501009430- ChEBI
CHEBI:29002- UNII
- 942194N4TD
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 20.9
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesDensity
Physical Description
Clear colorless liquid; Hygroscopic; [Sigma-Aldrich MSDS]
Solid
물리화학적 성질
- 녹는점
- -59 °C · -59 °C
- 끓는 점
- 186 · 186-188 °C765 mm Hg(lit.)
- 밀도
- 1.036 g/mL · 1.036 g/mL at 20 °C(lit.)
- 굴절률
- 20 · n20/D 1.432(lit.)
- 인화점
- 225 °F · 225 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- Miscible with acetone, chloroform, ethanol (95%), glycerin, and water; soluble at 1 in 6 parts of ether; not miscible with light mineral oil or fixed oils, but will dissolve some essential oils.
- 산도 계수 (pKa)
- 14.49 · 14.49±0.20(Predicted)
- 물리적 상태
- 액체
- 색상
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 40% (2 of 5) of 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information(S)-(+)-1,2-Propanediol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation and CNS depression; [Sigma-Aldrich MSDS] See Propylene glycol.
Hazard Classes and CategoriesSkin Irrit. 2 (20%)
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
안전 데이터
- wgk
- 1
- HS 번호
- 29053200
- risk_code
- 36/37/38-22
- hazard_code
- Xn
- safety_code
- 24/25-36/37/39-26
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
응용 분야
용도(S)-(+)-1,2-Propanediol acts as an organic solvent and diluent used in pharmaceutical preparations. It is also used as a chiral synthetic intermediate and substrate for enzyme studies.
제조 방법
생산 방법Propylene is converted to chlorohydrin by chlorine water and hydrolyzed to 1,2-propylene oxide. With further hydrolysis, 1,2- propylene oxide is converted to propylene glycol.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
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