Basic information
- CAS
1422-27-1- Standard SMILES
CC(O)CCCCCCCC(=O)O- InChIKey
UOQXHXSPGSKEGI-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Names & identifiers
- Preferred name
- 9-Hydroxydecanoic acid
- IUPAC
- 9-hydroxydecanoic acid
- English name
- 9-Hydroxycapric acid
- Molecular formula
- C10H20O3
- Molecular weight
- 188.26
Names & synonyms
9-hydroxydecanoic acid1422-27-19-hydroxy-decanoic acidDTXSID80404421RefChem:107950DTXCID10355275Decanoic acid, 9-hydroxy-9-hydroxycapric acidLMFA01050156SCHEMBL1879410CHEMBL1093740AKOS024339982
Show more names
9-DL-Hydroxydecanoic Acid; 9-Hydroxydecanoic Acid
Database identifiers
- CAS
1422-27-1- PubChem CID
- 4575239
- DTXSID
DTXSID80404421- ChEMBL
CHEMBL1093740- Nikkaji
- J262.026J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Melting point
- 35 · 35-38oC
- Boiling point
- 320.8 · 320.8±25.0 °C(Predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- Off-White to Pale Pink
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses9-Hydroxydecanoic Acid is an intermediate in the synthesis of Monocarboxyisodecyl Phthalate (M525575), a metabolite of Dibutyl phthalate (DBP) (D429495), which is found widely in consumer products.
Upstream & downstream products
Downstream products
Suppliers5 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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