DL-2-하이드록시-N-부티르산

2-Hydroxybutyric Acid

HCID 11266

기본 정보

CAS
565-70-8
표준 SMILES
CCC(O)C(=O)O
InChIKey
AFENDNXGAFYKQO-UHFFFAOYSA-N
분자식
C4H8O3
평균 분자량
104.1 g/mol
단동위원소 질량
104.04734411

이름 및 식별자

우선 이름
2-Hydroxybutyric Acid
IUPAC
2-hydroxybutanoic acid
현지명
DL-2-하이드록시-N-부티르산
영어명
DL-2-Hydroxybutyric Acid
분자식
C4H8O3
분자량
104.1

이름 및 동의어

2-Hydroxybutyric acid2-HYDROXYBUTANOIC ACID600-15-7alpha-Hydroxybutyric acid2-hydroxy-butanoic acidO0ADR0I4H5NSC-6495CHEBI:1148RefChem:473411209-985-3dl-2-hydroxy-n-butyric acidDL-2-Hydroxybutyric Acid
이름 더 보기
DL-2-하이드록시-N-부티르산NSC 6495RARECHEM AL BO 23222-hydroxybutyricaci2-hydroxybutanoicacid2-hydroxy-butanoicacid(?-2-hydroxybutyric acid(±)-2-hydroxybutyric acid
565-70-8Butanoic acid, 2-hydroxy-Butyric acid, 2-hydroxy-MFCD00070502Hydroxybutyric acid.alpha.-Hydroxybutyric acid.alpha.-Hydroxy-n-butyric acidalpha-hydroxybutanoic acid

데이터베이스 식별자

CAS
565-70-8、600-15-7
PubChem CID
11266
DTXSID
DTXSID8041903
ChEMBL
CHEMBL567588
ChEBI
CHEBI:1148
UNII
O0ADR0I4H5
EC Number
209-985-3
Nikkaji
J130.629D、J2.433.029J

물성

구조 계산 물성

XLogP
0.1
극성 표면적
57.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
7

실험 및 물리화학적 성질

Physical DescriptionWhite or almost white crystals or powder; [TCI America MSDS]
Collision Cross Section · 2건

124.67 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

120.5 Ų [M-H]-

물리화학적 성질

녹는점
44 °C · 44 °C
끓는 점
260 °C · 260 °C
밀도
1.125 · 1.1250
굴절률
1.4298 · 1.4298 (589.3 nm 20℃)
저장 조건
Refrigerator
용해도
클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazards SummaryA skin and strong eye irritant; [TCI America MSDS] See 2-Hydroxyisobutyric acid and beta-Hydroxybutyric acid.
Hazard Classes and CategoriesSkin Irrit. 2 (100%);Eye Dam. 1 (25%);Eye Irrit. 2A (75%);STOT SE 3 (75%)

안전 데이터

wgk
WGK 3
HS 번호
2918199890
risk_code
36/37/38-41-37/38
hazard_code
Xi
safety_code
26-36/37/39-39
기존화학 물질
KE-20426

화학 및 산업

응용 분야 · 2건

개요2-Hydroxybutyric acid (or alpha - hydroxy butyrate) is a hydroxy butyric acid with the hydroxyl group on the carbon adjacent to the carboxyl. It is a chiral compound having two enantiomers, D-2- hydroxybutyric acid and L-2-hydroxybutyric acid. 2-Hydroxy butyrate, the conjugate base of 2-hydroxy butyric acid, is produced in mammalian tissues (principally hepatic) that catabolize L-threonine or synthesize glutathione. Oxidative stress or detoxification demands can dramatically increase the rate of hepatic glutathione synthesis. Under such metabolic stress conditions, supplies of L-cysteine for glutathione synthesis become limiting, so homocysteine is diverted from the transmethylation pathway forming methionine into the transsulfuration pathway forming cystathionine. 2-Hydroxybutyrate is released as a byproduct when cystathionine is cleaved to cysteine that is incorporated into glutathione. Chronic shifts in the rate of glutathione synthesis may be reflected by urinary excretion of 2-hydroxybutyrate.

용도2-Hydroxybutanoic Acid is an analyte used in the diagnoses of colorectal cancer as well as Type II diabetes. It is also used in the purification of the major Vibrio autoinducer and the study of its role in virulence factor production for cholera.

공급사6 곳

宁波振岳医药科技有限公司19817745290 · [email protected]
广州理文科技有限公司18028686850 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
河南伊诺凯新材料有限公司15764055027 15764055027 · [email protected]
湖南嘉航医药科技有限公司85567275 15200744171 · [email protected]
추가 설명 · 1건

정의ChEBI: A hydroxybutyric acid having a single hydroxyl group located at position 2; urinary secretion of 2-hydroxybutyric acid is increased with alcohol ingestion or vigorous physical exercise and is associated with lactic acidosis and ketoacidosis in humans and d abetes in animals.

관련 반응

16건

화합물 노트

불러오는 중…