Basic information
- CAS
617-31-2- Standard SMILES
CCCC(O)C(=O)O- InChIKey
JRHWHSJDIILJAT-UHFFFAOYSA-N- Molecular formula
- C5H10O3
- Average molar mass
- 118.13 g/mol
- Monoisotopic mass
- 118.06299418
Overview
2-hydroxypentanoic acid is a 2-hydroxy monocarboxylic acid that is valeric (pentanoic) acid substituted at the alpha-position by a hydroxy group. It has a role as an algal metabolite. It is functionally related to a valeric acid. It is a conjugate acid of a 2-hydroxypentanoate.
Names & identifiers
- Preferred name
- (+-)-2-Hydroxypentanoic acid
- IUPAC
- 2-hydroxypentanoic acid
- English name
- 2-hydroxyvaleric acid
- Molecular formula
- C5H10O3
- Molecular weight
- 118.13
Names & synonyms
2-Hydroxypentanoic acid617-31-2(+-)-2-Hydroxypentanoic acidDTXSID00871792CHEBI:60647RefChem:473481DTXCID40819416210-509-12-Hydroxyvaleric acid2-hydroxy-pentanoic acidPentanoic acid, 2-hydroxy-MFCD00065002
Show more names
NSC 67957DL-2-Hydroxyvaleric acid2-Hydroxyvalerianic acidDL-alpha-Hydroxyvaleric acid2-Hydroxypentanoic acid, 98 % (1H-NMR)
DL-2-hydroxy valeric acid(+/-)-2-Hydroxypentanoic acid6450-97-12-hydroxyvalericacidEINECS 210-509-12-hydroxy-pentanoatePentanoic acid, 2-hydroxy-, (+-)-2-Hydroxypentanoicacid
Database identifiers
- CAS
617-31-2、6450-97-1- PubChem CID
- 98009
- DTXSID
DTXSID00871792- ChEBI
CHEBI:60647- EC Number
- 210-509-1
- Nikkaji
- J95.434I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 79.7
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
LogP
0.45
0.45
Melting Point34 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 34 · 34-35℃
- Boiling point
- 257.77 °C · 257.77°C (rough estimate)
- Density
- 1.0354 · 1.0354 (rough estimate)
- refractive index
- 1.4641 · 1.4641 (estimate)
- storage temp.
- Store at room temperature
- solubility
- DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Semi-Solid
- pka
- 3.85 · 3.85±0.20(Predicted)
- color
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses2-Hydroxypentanoic Acid is used in preparation method of high-efficiency attractant ammonium 2-hydroxypropionate for Aedes albopictus.
Upstream & downstream products
Downstream products
Suppliers35 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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