p-Tolyl butyrate
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Basic information
- CAS
14617-92-6- Standard SMILES
CCCC(=O)Oc1ccc(C)cc1- InChIKey
RRXBRABFDRJAPX-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- p-Tolyl butyrate
- IUPAC
- (4-methylphenyl) butanoate
- English name
- p-tolyl butyrate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
p-Tolyl butyrate14617-92-6p-Cresyl n-butyrateButanoic acid, 4-methylphenyl esterEINECS 238-654-6AI3-18342DTXSID90163279NSC 53053RefChem:858230DTXCID7085770238-654-6(4-methylphenyl) butanoate
Show more names
(4-methylphenyl)butanoate(4-Methylphenyl)butyric acidButyric acid 4-methylphenyl ester
p-Cresyl butanoateButyric acid, p-tolyl esterP-CRESYL BUTYRATE4-METHYLPHENYL BUTANOATEPara-Cresylbutyratpara-cresyl butyrate4-Methylphenyl butyrate #SCHEMBL898796
Database identifiers
- CAS
14617-92-6- PubChem CID
- 84556
- DTXSID
DTXSID90163279- EC Number
- 238-654-6
- Nikkaji
- J102.621F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Odor
- 1 % · at 1.00 % in dipropylene glycol. animal narcissus
- Odor Type
- animal
- LogP
- 3.099 · 3.099 (est)
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 Information
Chemical: Butanoic acid, 4-methylphenyl ester
p-Tolyl butyrate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Butanoic acid, 4-methylphenyl ester: Human health tier I assessment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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