3-Hydroxybutanoic acid, (R)- (HCID 92135)

개요

(R)-3-hydroxybutyric acid is the R-enantiomer of 3-hydroxybutyric acid. Involved in the synthesis and degradation of ketone bodies, it can be used as an energy source by the brain during hypoglycaemia, and for the synthesis of biodegradable plastics. It is a sex pheremone in the European spider Linyphia triangularis. It has a role as a pheromone, a fungal metabolite and a human metabolite. It is a 3-hydroxybutyric acid and a ketone body. It is a conjugate acid of a (R)-3-hydroxybutyrate. It is an enantiomer of a (S)-3-hydroxybutyric acid.

이름 및 식별자

우선 이름: 3-Hydroxybutanoic acid, (R)-
IUPAC: (3R)-3-hydroxybutanoic acid
영어명: (R)-3-Hydroxybutyric acid
분자식: C4H8O3
분자량: 104.1

이름 및 동의어

625-72-9(R)-3-Hydroxybutyric acidButanoic acid, 3-hydroxy-, (3R)-3-D-hydroxybutyric acid3-Hydroxybutanoic acid, (R)-(-)-beta-Hydroxybutyrate, D-b-Hydroxybutyrate148ULJ1DF4EINECS 210-909-6CHEBI:170663-HYDROXYBUTYRIC ACID, (R)3-HYDROXYBUTYRIC ACID, (R)-

이름 더 보기

d-beta-hydroxybutyrateD-3-Hydroxybutyric acid(R)-β-Hydroxybutyric acid(3R)-3-hydroxybutanoic acid(R)-3-HydroxybutyrateD(-)-3-HydroxybutyrateD-(-)-3-Hydroxybutyrate(R)-3-HydroxybuttersureLactic acid impurity 118

D-(-)-.BETA.-HYDROXYBUTYRIC ACID.BETA.-HYDROXYBUTYRIC ACID L-FORM [MI]3-hydroxy-butyrateD-(-)-beta-HYDROXYBUTYRIC ACIDRefChem:502534BETA-HYDROXYBUTYRIC ACID L-FORM210-909-6(R)-3-Hydroxybutanoic acid

데이터베이스 식별자

CAS: 625-72-9
PubChem CID: 92135
DTXSID: DTXSID3041829
ChEMBL: CHEMBL1162484
ChEBI: CHEBI:17066
UNII: 148ULJ1DF4
EC Number: 210-909-6
Nikkaji: J5.217E

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 69.3

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]

Melting Point49 - 50 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 49 · 49-50 °C(lit.)
끓는 점: 90 · 90-92 °C(Press: 0.08 Torr)
밀도: 1.195 · 1.195±0.06 g/cm3(Predicted)
인화점: 112 °C · 112 °C
저장 조건: 2 · Sealed in dry,2-8°C
용해도: DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
물리적 상태: 기름진 또는 반고체
산도 계수 (pKa): 4.36 · 4.36±0.10(Predicted)
색상: 무색~담황색
BRN: 1720568 · 1720568
화장품 원료 기능: 가소제보습제피지 억제
InChI: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKey: WHBMMWSBFZVSSR-GSVOUGTGSA-N
SMILES: C(O)(=O)C[C@H](O)C
EPA: 3 · Butanoic acid, 3-hydroxy-, (3R)- (625-72-9)

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 82 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-20428
F 고인화성물질: 3-10

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

Metabolite PathwaysFatty Acid Biosynthesis

응용 분야 · 2건

개요(R)-3-Hydroxybutanoic acid is a metabolite, and converted from acetoacetic acid catalyzed by 3-hydroxybutyrate dehydrogenase. It is a monomer of PHB (poly[(R)-3-hydroxybutyrate]) with wide industrial and medical applications. It can also serve as chiral precursor for synthesis of pure biodegradable PHB and its copolyesters.

용도(R)-3-Hydroxybutyric acid may be used in the preparation of copolymers by reacting with various hydroxyalkanoic acids. It may also be used in the preparation of (3R,4R)-4-acetoxy-3-[(R)-1-(formyloxy)ethyl]-2-azetidinone.

상·하류 제품 정보

하류 제품

공급사50 곳

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海摩睿化学科技有限公司13382110328 15255501563 · [email protected]

山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

추가 설명 · 1건

정의ChEBI: (R)-3-hydroxybutyric acid is the R-enantiomer of 3-hydroxybutyric acid. Involved in the synthesis and degradation of ketone bodies, it can be used as an energy source by the brain during hypoglycaemia, and for the synthesis of biodegradable plastics. It is a sex pheremone in the European spider Linyphia triangularis. It has a role as a human metabolite, a pheromone and a fungal metabolite. It is a ketone body and a 3-hydroxybutyric acid. It is a conjugate acid of a (R)-3-hydroxybutyrate. It is an enantiomer of a (S)-3-hydroxybutyric acid.