(4-Methoxyphenyl)methyl ester hexanoic acid
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Basic information
- CAS
6624-60-8- Standard SMILES
CCCCCC(=O)OCc1ccc(OC)cc1- InChIKey
IDNYDOYPAOXMOC-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- (4-Methoxyphenyl)methyl ester hexanoic acid
- IUPAC
- (4-methoxyphenyl)methyl hexanoate
- English name
- Hexanoic acid, (4-methoxyphenyl)methyl ester
- Molecular formula
- C14H20O3
- Molecular weight
- 236.31
Names & synonyms
p-Anisyl hexanoate6624-60-8Hexanoic acid, (4-methoxyphenyl)methyl esterXZ19L9AAO8NSC 53807NSC-53807(4-Methoxyphenyl)methyl ester hexanoic acidRefChem:402962613-916-6(4-Methoxyphenyl)methyl hexanoate4-Methoxybenzyl hexanoatepara-anisyl hexanoate
Show more names
Anisyl hexanoateHexanoic acid 4-methoxybenzyl ester
Hexanoic acid,(4-methoxyphenyl)methyl esterUNII-XZ19L9AAO84-Methoxybenzyl hexanoate #SCHEMBL8084703DTXSID9064423NSC53807Hexanoic acid, p-methoxybenzyl esterHexanoic acid, 4-methoxybenzyl ester
Database identifiers
- CAS
6624-60-8- PubChem CID
- 81102
- DTXSID
DTXSID9064423- UNII
- XZ19L9AAO8
- EC Number
- 613-916-6
- Nikkaji
- J155.599E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- LogP
- 3.925 · 3.925 (est)
- FDA UNII
- 19 L9AAO8 · XZ19L9AAO8
- EPA Substance Registry System
- (4-Methoxyphenyl)methyl hexanoate (6624-60-8)
- 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.
Hazard information
Regulatory InformationHexanoic acid, (4-methoxyphenyl)methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanoic acid, (4-methoxyphenyl)methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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