R-(-)-프로필렌 글라이콜

R-(-)-1,2-Propanediol

HCID 259994

기본 정보

CAS: 4254-14-2
표준 SMILES: C[C@@H](O)CO
InChIKey: DNIAPMSPPWPWGF-GSVOUGTGSA-N
분자식: C3H8O2
평균 분자량: 76.09 g/mol
단동위원소 질량: 76.0524295

개요

(R)-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 (S)-propane-1,2-diol.

이름 및 식별자

우선 이름: R-(-)-1,2-Propanediol
IUPAC: (2R)-propane-1,2-diol
현지명: R-(-)-프로필렌 글라이콜
영어명: (R)-(-)-1,2-Propanediol
분자식: C3H8O2
분자량: 76.09

이름 및 동의어

4254-14-2(R)-Propane-1,2-diolR-(-)-1,2-propanediol(R)-1,2-Propanediol(2R)-1,2-propanediol(-)-Propylene glycol1-Deoxy-sn-glycerolD-(-)-Propanediol1,2-Propanediol, (R)-(R)-2-Hydroxy-1-propanolPropylene glycol, (R)-R-(-)-Propylene glycol

이름 더 보기

R-(-)-프로필렌글라이콜R-(-)-프로필렌 글라이콜R-1,2-PD(R)-1,2-propandiol(R)-(-)-PROPANEDIOL(R)-(-)-PROPYLENE GLYCOLIntermediate For Tenofovir

Propylene glycol, (2R)-NSC-907931,2-Propanediol, (R)-(-)-CHEBI:28972602HN5L69HRefChem:869827(R)-(-)-1,2-Propanediol(2R)-propane-1,2-diol

데이터베이스 식별자

CAS: 4254-14-2
PubChem CID: 259994
DTXSID: DTXSID201009429
ChEBI: CHEBI:28972
UNII: 602HN5L69H
EC Number: 610-038-5
Nikkaji: J9.257F

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: 5
형식 전하: 0
복잡도: 20.9

실험 및 물리화학적 성질

LogP-0.92

Solubility1000 mg/mL at 20 °C

Melting Point-60 °C

Physical DescriptionLiquid

물리화학적 성질

녹는점: -57 C · -57C
끓는 점: 186 · 186-188 °C765 mm Hg(lit.)
밀도: 1.04 g/mL · 1.04 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.434(lit.)
인화점: 225 °F · 225 °F
저장 조건: Inert atmosphere,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: 투명한 액체
색상: Colorless to Light orange to Yellow
Specific Gravity: 1.036 · 1.036
Merck: 14 · 14,7855
BRN: 1718872 · 1718872
InChI: 1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
InChIKey: DNIAPMSPPWPWGF-GSVOUGTGSA-N
SMILES: C[C@@H](O)CO
NIST: -1 · R-(-)-1,2-propanediol(4254-14-2)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 28.6% (2 of 7) of reports.

Warning

H315 (14.3%): 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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (14.3%)

안전 데이터

wgk: 1
HS 번호: 29053200
risk_code: 20-65-15-10
hazard_code: F,Xn
safety_code: 24/25-43-7/8
F 고인화성물질: 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Liquids that dissolve other substances (solutes), generally solids, without any change in chemical composition, as, water containing sugar. (Grant & Hackh's Chemical Dictionary, 5th ed)

A carrier or inert medium used as a solvent (or diluent) in which the medicinally active agent is formulated and or administered. (Dictionary of Pharmacy, 1986)

Tissue LocationsEpidermis

Cellular LocationsCytoplasm

Metabolite PathwaysLeigh Syndrome

응용 분야

용도R-(-)-1,2-Propanediol, is a chiral building blocks that can be used for variety of chemical synthesis.

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.