Benzoic acid, 4-(dimethylamino)-, pentyl ester
Basic information
- CAS
14779-78-3- Standard SMILES
CCCCCOC(=O)c1ccc(N(C)C)cc1- InChIKey
LXTZRIBXKVRLOA-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Overview
Padimate A is an ester derivative of PABA and an ingredient in some sunscreens. It absorbs ultraviolet rays thereby preventing sunburn, however, its chemical structure and behaviour is similar to an industrial free radical generator. In Europe this chemical was withdrawn in 1989 for unstated reasons and in the US it was never approved for use in sunscreens.
Names & identifiers
- Preferred name
- Benzoic acid, 4-(dimethylamino)-, pentyl ester
- IUPAC
- pentyl 4-(dimethylamino)benzoate
- English name
- Pentyl 4-(dimethylamino)benzoate
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32
Names & synonyms
14779-78-3Padimate AAmyl-p-dimethylaminobenzoateAmyl dimethyl-PABAAmyl 4-(dimethylamino)benzoatePentyl dimethyl PABAAmyl P-(Dimethylamino)benzoateBenzoic acid, 4-(dimethylamino)-, pentyl ester3I0HW37A8QAmyl dimethylaminobenzoateamyl p-n,n-dimethylaminobenzoateDTXSID9065817
Show more names
amyldimethylpabaP-DIMETHYLINAMYL BENZOATEamyl4-(dimethylamino)benzoate4-(2-methylhexan-2-yl)benzoateAMYLPARA-DIMETHYLAMINOBENZOATEAMYLDIMETHYLPARA-AMINOBENZOATE
AMYL N,N-DIMETHYL-4-AMINOBENZOATEAMYL N,N-DIMETHYL-P-AMINOBENZOATERefChem:858280DTXCID003480577FU10423XPentyl 4-(dimethylamino)benzoatePadimate A [USAN]pentyl p-dimethylaminobenzoate
Database identifiers
- CAS
14779-78-3- PubChem CID
- 26890
- DTXSID
DTXSID9065817
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 377.72 °C · 377.72°C (rough estimate)
- Density
- 1.0247 · 1.0247 (rough estimate)
- refractive index
- 1.5385 · 1.5385 (estimate)
- pka
- 2.42 · 2.42±0.12(Predicted)
- Cosmetics Ingredients Functions
- UV ABSORBER
- CAS DataBase Reference
- 14779 · 14779-78-3
- EWG's Food Scores
- 1 · 1-4
- FDA UNII
- 77 FU10423X · 77FU10423X
- EPA Substance Registry System
- 4 · Benzoic acid, 4-(dimethylamino)-, pentyl ester (14779-78-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
- Toxicity
- 15 mg/3D-I · skn-hmn 15 mg/3D-I MLD 85DKA8 -,127,77
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: Benzoic acid, 4-(dimethylamino)-, pentyl ester
Benzoic acid, 4-(dimethylamino)-, pentyl ester: 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.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- Toxicity
- skn-hmn 15 mg/3D-I MLD 85DKA8 -,127,77
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-(dimethylamino)-, pentyl ester: INACTIVE
Applications
UsesUltraviolet screen.
UsesPentyl 4-(dimethylamino)benzoate is a chemical uVB absorber infrequently used because of the PABA component,it is can be used as ultraviolet screen.
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Related reactions
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Compound notes
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