Octyl p-dimethylaminobenzoate
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Basic information
- CAS
58817-05-3- Standard SMILES
CCCCCCCCOC(=O)c1ccc(N(C)C)cc1- InChIKey
YAGMLECKUBJRNO-UHFFFAOYSA-N- Molecular formula
- C17H27NO2
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.2041791
Names & identifiers
- Preferred name
- Octyl p-dimethylaminobenzoate
- IUPAC
- octyl 4-(dimethylamino)benzoate
- English name
- OCTYLDIMETHYL P-AMINOBENZOIC ACID
- Molecular formula
- C17H27NO2
- Molecular weight
- 277.4
Names & synonyms
58817-05-3Octyl dimethyl 4-aminobenzoic acidOctyl p-Dimethylaminobenzoate3X64HWP88SDTXSID70207549octyldimethyl-p-aminobenzoic acid4-amino-2,3-dimethyl-5-octylbenzoic acidRefChem:856089DTXCID70130040Octyl 4-(Dimethylamino)benzoateoctyldimethyl p-aminobenzoic acidoctyl dimethyl p-aminobenzoic acid
Show more names
Dsunpro EhaP-DIMETHYL-N-OCTYL BENZOATEoctyldimethyl4-aminobenzoicacidOCTYLDIMETHYLPARA-AMINOBENZOATEOoctyldimethyl 4-aminobenzoic acid4-(Dimethylamino)benzoic acid octylOCTYL-N-DIMETHYL-PARA-AMINOBENZOATEp-dimethylamino-benzoicacioctylesterp-dimethylaminobenzoicacid,octylester
OCTYLDIMETHYLP-AMINOBENZOICACIDBenzoic acid, 4-(dimethylamino)-, octyl esterPadimite Ap-Dimethylaminobenzoic acid, octyl esterUNII-3X64HWP88Sp-(Dimethylamino)benzoic Acid Octyl Ester; Amerscol; Octyl N,N-Dimethyl-p-aminobenzoate; Octyl Dimethyl-p-aminobenzoate; Octyl p-DimethylaminobenzoateAMERSCOLOctyl 4-dimethylaminobenzoate
Database identifiers
- CAS
58817-05-3- PubChem CID
- 42851
- DTXSID
DTXSID70207549- UNII
- 3X64HWP88S
- Nikkaji
- J83.370C
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
LogP5.75
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 420.26 °C · 420.26°C (rough estimate)
- Density
- 0.9756 · 0.9756 (rough estimate)
- refractive index
- 1.542 · 1.5420 (estimate)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.43 · 2.43±0.12(Predicted)
- color
- Off-White to Orange Waxy
- FDA UNII
- 3 X64HWP88S · 3X64HWP88S
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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 InformationChemical: Benzoic acid, 4-(dimethylamino)-, octyl ester
Safety data
- 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
Applications
UsesOctyl Dimethyl PABA is used as a sunscreen agent in many cosmetic products.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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