Basic information
- CAS
2553-17-5- Standard SMILES
O=CCCCCCCCC(=O)O- InChIKey
WLGDDELKYAWBBL-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Overview
9-oxononanoic acid is a medium-chain oxo-fatty acid that is the 9-oxo derivative of nonanoic acid. It has a role as an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor. It is an aldehydic acid, a medium-chain fatty acid and an omega-oxo fatty acid. It is functionally related to a nonanoic acid. It is a conjugate acid of a 9-oxononanoate.
Names & identifiers
- Preferred name
- 9-Oxononanoic acid
- IUPAC
- 9-oxononanoic acid
- English name
- 9-oxononanoic acid
- Molecular formula
- C9H16O3
- Molecular weight
- 172.22
Names & synonyms
9-Oxononanoic acid2553-17-59-Ketononanoic acidNonanoic acid, 9-oxo-YH3Q8RSX3ZDTXSID30180228CHEBI:78700RefChem:914794DTXCID401027199-oxo-nonanoic acidMFCD058640808-formyloctanoic acid
Show more names
9-OxononanoicAcidAzelaaldehydic Acid; Azelaic Semialdehyde; Nonanal-9-oic Acid; ?-Oxononanoic Acid;WLGDDELKYAWBBL-UHFFFAOYSA-NUNII-YH3Q8RSX3ZAZELAALDEHYDIC ACIDNONANAL-9-OIC ACID9-ONAorb1693404
Database identifiers
- CAS
2553-17-5- PubChem CID
- 75704
- DTXSID
DTXSID30180228- ChEBI
CHEBI:78700- UNII
- YH3Q8RSX3Z
- Nikkaji
- J564.228K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Physicochemical properties
- Melting point
- 70 °C · 70 °C
- Boiling point
- 181 · 181-182 °C(Press: 15 Torr)
- Density
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform: slightly soluble,Methanol: slightly soluble
- form
- A solid
- pka
- 4.77 · 4.77±0.10(Predicted)
- color
- White to off-white
- Stability
- Hygroscopic
- FDA UNII
- 3 Q8RSX3Z · YH3Q8RSX3Z
Chemistry & industry
Applications
Uses9-Oxononanoic Acid is an aldehydic lipid peroxidation product derived from Linoleic Acid (L467495), which is anti-inflammatory, acne reductive, and moisture retentive when used topically on the skin.
Upstream & downstream products
Downstream products
Suppliers20 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
陕西麟邦实业有限公司17709134430 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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