Hydroxycaprylic Acid

HCID 94180
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
617-73-2
Standard SMILES
CCCCCCC(O)C(=O)O
InChIKey
JKRDADVRIYVCCY-UHFFFAOYSA-N
Molecular formula
C8H16O3
Average molar mass
160.21 g/mol
Monoisotopic mass
160.10994437

Names & identifiers

Preferred name
Hydroxycaprylic Acid
IUPAC
2-hydroxyoctanoic acid
English name
2-Hydroxycaprylic acid
Molecular formula
C8H16O3
Molecular weight
160.21

Names & synonyms

2-Hydroxyoctanoic acid617-73-22-Hydroxycaprylic acidhydroxycaprylic acidOctanoic acid, 2-hydroxy-alpha-Hydroxycaprylic acidalpha-Hydroxyoctanoic acidDL-2-Hydroxyoctanoic acidDL-2-Hydroxycaprylic acid.alpha.-Hydroxycaprylic acid0R6X0G0S8A.alpha.-Hydroxy-n-caprylic acid
Show more names
Hydroxyoctanoic acid2-HYDROXY-N-OCTANOIC ACIDHSDB 83132-hydroxyoctanoate2-hydroxyoctanoicaciA-HYDROXYCAPRYLIC ACID
EINECS 210-524-3NSC 189703NSC-189703alpha-Hydroxy-n-caprylic acidCHEBI:86543DTXSID80862300alpha-HCA acidRefChem:789453

Database identifiers

CAS
617-73-2
PubChem CID
94180
DTXSID
DTXSID80862300
ChEMBL
CHEMBL4447980
ChEBI
CHEBI:86543
UNII
0R6X0G0S8A
EC Number
210-524-3
Nikkaji
J94.836E

Properties

Computed structural properties

XLogP
2
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
11

Experimental & physicochemical properties

Solubility927 mg/mL
Melting Point70 °C
Physical DescriptionSolid

Physicochemical properties

Melting point
66 · 66-68 °C
Boiling point
226.12 °C · 226.12°C (rough estimate)
Density
1.0227 · 1.0227 (rough estimate)
refractive index
1.431 · 1.4310 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Sparingly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationOctanoic 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.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

Toxicology

Toxicity Summary · 2 items

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...Hydroxycaprylic Acid...

Safe for use in cosmetics, with qualifications

Regulatory information

Regulatory InformationOctanoic 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
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
2918.19.9000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Hydroxycaprylic Acid
Household ProductsInformation on 3 consumer products that contain Hydroxycaprylic Acid in the following categories is provided:；• Personal Care
Use ClassificationCosmetics -> Skin conditioning

Applications

Uses2-Hydroxyoctanoic acid is a medium chain acyl-CoA synthetase inhibitor with a Ki of 500 μM[1].

Upstream & downstream products

Upstream raw materials

Suppliers89 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

Additional notes

DefinitionChEBI: A hydroxy fatty acid that is caprylic (octanoic) acid substituted by a hydroxy group at position 2.

Related reactions

14 records
New reaction record

Compound notes

Loading…