DL-2-ヒドロキシ酪酸

2-Hydroxybutyric Acid

HCID 11266

基本情報

CAS
565-70-8
標準SMILES
CCC(O)C(=O)O
InChIKey
AFENDNXGAFYKQO-UHFFFAOYSA-N
分子式
C4H8O3
平均分子量
104.1 g/mol
単同位体質量
104.04734411

名称と識別子

優先名称
2-Hydroxybutyric Acid
IUPAC
2-hydroxybutanoic acid
現地名
DL-2-ヒドロキシ酪酸
英語名
DL-2-Hydroxybutyric Acid
分子式
C4H8O3
分子量
104.1

名称と別名

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
名称をさらに表示
DL-2-ヒドロキシ酪酸(±)-α-ヒドロキシ酪酸rac-(R*)-2-ヒドロキシブタン酸DL-α-ヒドロキシ酪酸rac-(R*)-2-ヒドロキシ酪酸rac-(2R*)-2-ヒドロキシ酪酸(±)-2-ヒドロキシ酪酸DL-2-ヒドロキシ-n-酪酸NSC 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

データベース識別子

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

物性

構造計算による物性

XLogP
0.1
極性表面積
57.5 Ų
水素結合供与体数
2
水素結合受容体数
3
回転可能結合数
2
重原子数
7

実験および物理化学的性質

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

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

120.5 Ų [M-H]-

物理化学的性質

融点
44 °C · 44 °C
沸点
260 °C · 260 °C
比重(密度)
1.125 · 1.1250
屈折率
1.4298 · 1.4298 (589.3 nm 20℃)
貯蔵温度
Refrigerator
溶解性
クロロホルム(微量)、酢酸エチル(微量)、メタノール(微量)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

安全データ

wgk
WGK 3
hs_code
2918199890
risk_code
36/37/38-41-37/38
化審法
(2)-1429
hazard_code
Xi
safety_code
26-36/37/39-39

化学と産業

応用分野 · 2 件

説明2-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.

使用2-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.

サプライヤー6 社

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]
補足説明 · 1 件

定義ChEBI: 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.

関連反応

16 件

化合物ノート

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