Basic information
- CAS
5393-81-7- Standard SMILES
CCCCCCCCC(O)C(=O)O- InChIKey
GHPVDCPCKSNJDR-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Overview
2-hydroxydecanoic acid is a medium-chain fatty acid that is decanoic acid substituted at position 2 by a hydroxy group. It is a 2-hydroxy fatty acid and a medium-chain fatty acid. It is functionally related to a decanoic acid. It is a conjugate acid of a 2-hydroxydecanoate.
Names & identifiers
- Preferred name
- 2-Hydroxydecanoic Acid
- IUPAC
- 2-hydroxydecanoic acid
- English name
- (±)-2-Hydroxydecanoic acid
- Molecular formula
- C10H20O3
- Molecular weight
- 188.26
Names & synonyms
2-HYDROXYDECANOIC ACID5393-81-72-Hydroxycapric acid2-hydroxy capric acid2-hydroxy-decanoic acidalpha-Hydroxydecanoic acidhydroxycapric acidB41993WR8WDTXSID101021248NSC-4801ALPHAMIXT HODA, BG SOL.CHEBI:133172
Show more names
2-Hydroxydecanoate2-HYDROXY C10:0 ACIDα-Hydroxydecanoic acid2-hydroxy Decylic Acid2- Hydroxydeconoic acid
RefChem:87515DTXCID101506303611-068-1(+/-)-2-Hydroxydecanoic acidDecanoic acid, 2-hydroxy-37639-46-6alpha-Hydroxycapric acidDecanoic acid, hydroxy-
Database identifiers
- CAS
5393-81-7- PubChem CID
- 21488
- DTXSID
DTXSID101021248- ChEBI
CHEBI:133172- UNII
- B41993WR8W
- EC Number
- 611-068-1
- Nikkaji
- J111.044F
Properties
Computed structural properties
- XLogP
- 3.1
- 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]
Cosmetics
Cosmetic ingredients (Hydroxycapric Acid) -> CIR (Cosmetic Ingredient Review)
Skin conditioning
Physicochemical properties
- Melting point
- 70.5 °C · 70.5 °C
- Boiling point
- 90 · 90-91 °C(Press: 20 Torr)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; DMSO:PBS (pH 7.2) (1:2): 0.33 mg/ml; Ethanol: 2.5 mg/ml
- form
- A crystalline solid
- pka
- 3.86 · 3.86±0.21(Predicted)
- Appearance
- White to off-white Solid
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- LogP
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 03-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34206
Hazard Classes and CategoriesSkin Corr. 1 (66.7%)
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating and non-sensitizing, which may be based on a QRA...Hydroxycapric Acid...
Safe for use in cosmetics, with qualifications
Safety data
- wgk
- 3
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- REACH Registrations
- Active
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Hydroxycapric Acid
Use ClassificationCosmetics -> Skin conditioning
Applications
Uses2-Hydroxydecanoic Acid is used in the study of drug absorption by intestinal mucosal enhancement using decanoic acid and it’s derivatives. In the production of quorum sensing inhibitors in growing onion bulbs infected with Pseudomonas aeruginosa E (HQ324110). Studies on part of carboxylic acid found in human blood.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers57 total
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Related reactions
6 records
Compound notes
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