Basic information
- CAS
10303-64-7- Standard SMILES
CC(C)CC(O)C(=O)O- InChIKey
LVRFTAZAXQPQHI-UHFFFAOYSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Names & identifiers
- Preferred name
- (+-)-2-Hydroxyisocaproic acid
- IUPAC
- 2-hydroxy-4-methylpentanoic acid
- English name
- DL-LEUCIC ACID
- Molecular formula
- C6H12O3
- Molecular weight
- 132.16
Names & synonyms
498-36-22-Hydroxy-4-methylvaleric acidLeucic acidalpha-Hydroxyisocaproic acidPentanoic acid, 2-hydroxy-4-methyl-DL-alpha-Hydroxyisocaproic acid8RN4NSX3TYCHEBI:59783RefChem:798973(+-)-2-Hydroxyisocaproic acid207-860-8233-677-8
Show more names
alpha-HydroxyisocaproateEinecs 233-677-8Einecs 207-860-8DL-LeucicAcid>Pregabalin Impurity 175alpha-hydroxyisocaproicacid
2-Hydroxy-4-methylpentanoic acidDL-leucic acid2-Hydroxyisocaproic acid10303-64-7leucinic acid2-HYDROXY-4-METHYL-PENTANOIC ACIDd-alpha-hydroxyisocaproic acidDL-2-Hydroxyisocaproic acid
Database identifiers
- CAS
10303-64-7、498-36-2- PubChem CID
- 92779
- DTXSID
DTXSID80862047- ChEMBL
CHEMBL3247392- ChEBI
CHEBI:59783- UNII
- 8RN4NSX3TY
- EC Number
- 207-860-8、233-677-8
- Nikkaji
- J6.108E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98
Physicochemical properties
- Melting point
- 78 · 78-80 °C(lit.)
- Boiling point
- 251.3 · 251.3±13.0 °C(Predicted)
- Density
- 1.097 · 1.097±0.06 g/cm3(Predicted)
- FLAVIS Number
- 8.09 · 08.090 | 2-Hydroxy-4-methylvaleric acid
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 12 mg/ml; · DMF: 12 mg/ml; DMSO: 11 mg/ml; Ethanol: Slightly soluble; PBS (pH 7.2): 5 mg/ml
- form
- powder to crystal
- pka
- 3.86 · 3.86±0.21(Predicted)
- color
- White to Almost white
- Water Solubility
- Soluble in water. (82 g/L) at 25°C.
- InChI
- 1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
- InChIKey
- LVRFTAZAXQPQHI-UHFFFAOYSA-N
- SMILES
- CC(C)CC(O)C(O)=O
- LogP
- 0.522 · 0.522 (est)
- CAS DataBase Reference
- 498 · 498-36-2
- FDA UNII
- 8 RN4NSX3TY · 8RN4NSX3TY
- EPA Substance Registry System
- 2 · 2-Hydroxy-4-methylvaleric acid (498-36-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-21
- Safety Statements
- 36 · 36/37/39-26
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2918199890 · 2918199890
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2918199890
- risk_code
- 36/37/38-21
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2-Hydroxy-4-methylvaleric acid is used as nutrients, stabilizers, surfactants and emulsifiers.
Suppliers33 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
上海昊锐医药生物科技有限公司021-58388037;21-58388037 13472507714 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
北京沃凯生物科技有限公司010-62971590 18548936886 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海易恩化学技术有限公司400-1332688 18019345275 · [email protected]
Additional notes
DefinitionChEBI: A valeric acid derivative having a hydroxy substituent at the 2-position and a methyl substituent at the 4-position; an alpha-hydroxy analogue of leucine. A bacterial metabolite, it has also been isolated from amniotic fluid, was found in patient with dihydrolipoyl dehydrogenase deficiency and is present in the urine of patients with short bowel syndrome.
Related reactions
61 records
Compound notes
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