Basic information
- CAS
6064-63-7- Standard SMILES
CCCCC(O)C(=O)O- InChIKey
NYHNVHGFPZAZGA-UHFFFAOYSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Overview
2-hydroxyhexanoic acid is a hydroxy fatty acid that is caproic (hexanoic) acid substituted by a hydroxy group at position 2. It has a role as an animal metabolite. It is functionally related to a hexanoic acid. It is a conjugate acid of a 2-hydroxyhexanoate.
Names & identifiers
- Preferred name
- 2-Hydroxyhexanoic acid
- IUPAC
- 2-hydroxyhexanoic acid
- English name
- 2-Hydroxyhexanoic acid
- Molecular formula
- C6H12O3
- Molecular weight
- 132.16
Names & synonyms
2-Hydroxyhexanoic acid2-hydroxycaproic acidDL-2-Hydroxycaproic acidDL-2-Hydroxyhexanoic acidDL-alpha-Hydroxycaproic acidHexanoic acid, 2-hydroxy-L58MR7E927EINECS 227-991-4DL-.ALPHA.-HYDROXYCAPROIC ACIDNSC-227903CHEBI:86542DTXSID90863686
Show more names
2-Hydroxycapoic acidHydroxycaproic acid.DL-A-HYDROXYCAPROIC ACID2-Hydroxyhexanoic acid 98%DL-2-HYDROXYCAPROICACID,95+%DL-α-Hydroxycaproic acid ,95%DL-ALPHA-HYDROXYCAPROIC ACID, 95
NSC 227903RefChem:473454DTXCID10812272(+-)-2-HYDROXYCAPROIC ACID2-HYDROXYCAPROIC ACID, (+-)-227-991-4(2S)-2-hydroxyhexanoic acid6064-63-7
Database identifiers
- CAS
6064-63-7- PubChem CID
- 99824
- DTXSID
DTXSID90863686- ChEBI
CHEBI:86542
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.3
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
LogP0.81
Melting Point55 - 58 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 60 · 60-62 °C(lit.)
- Boiling point
- 277.83 °C · 277.83°C (rough estimate)
- Density
- 1.016 · 1.0160 (rough estimate)
- refractive index
- 1.4828 · 1.4828 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 20 °C · −20°C
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 3.86 · 3.86±0.21(Predicted)
Safety & regulation
Hazard information
Regulatory InformationHexanoic acid, 2-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses2-Hydroxyhexanoic acid was used in the synthesis of aliphatic copolyesters.
General DescriptionSolubility of 2-hydroxyhexanoic acid in supercritical CO2 has been studied.
Upstream & downstream products
Upstream raw materials
Suppliers61 total
上海康恩博医药科技有限公司17510465506 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
ShanghaiFineBiotechCoLtd+8618717800556 18717800556 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
Related reactions
19 records
Compound notes
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