Nonanoic acid, 4-(acetyloxy)-3-methyl-
Basic information
- CAS
68922-16-7- Standard SMILES
CCCCCC(OC(C)=O)C(C)CC(=O)O- InChIKey
VIBLYVCTGOEYFA-UHFFFAOYSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.15180918
Names & identifiers
- Preferred name
- Nonanoic acid, 4-(acetyloxy)-3-methyl-
- IUPAC
- 4-acetyloxy-3-methylnonanoic acid
- English name
- 4-(acetoxy)-3-methylnonan-1-oic acid
- Molecular formula
- C12H22O4
- Molecular weight
- 230.30068
Names & synonyms
3-Methyl-4-acetoxynonanoic acid68922-16-7Nonanoic acid, 4-(acetyloxy)-3-methyl-EINECS 272-987-8DTXSID70887582RefChem:854596DTXCID7010268724-(Acetoxy)-3-methylnonan-1-oic acid4-(ACETYLOXY)-3-METHYLNONANOIC ACIDVIBLYVCTGOEYFA-UHFFFAOYSA-NNS00062096
Database identifiers
- CAS
68922-16-7- PubChem CID
- 111444
- DTXSID
DTXSID70887582- EC Number
- 272-987-8
- Nikkaji
- J332.738H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- EPA Substance Registry System
- 3 · 3-Methyl-4-acetoxynonanoic acid (68922-16-7)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNonanoic acid, 4-(acetyloxy)-3-methyl-: INACTIVE
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Compound notes
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