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Details

Stereochemistry ACHIRAL
Molecular Formula C14H21NO2
Molecular Weight 235.322
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPENTYL P-DIMETHYLAMINOBENZOATE

SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)N(C)C

InChI

InChIKey=OFSAUHSCHWRZKM-UHFFFAOYSA-N
InChI=1S/C14H21NO2/c1-11(2)9-10-17-14(16)12-5-7-13(8-6-12)15(3)4/h5-8,11H,9-10H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C14H21NO2
Molecular Weight 235.322
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: The description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/646366 | https://www.ncbi.nlm.nih.gov/pubmed/7673491

Isopentyl p-dimethylaminobenzoate (Padimate A) is an organic compound that is an ingredient in some sunscreens. This aromatic chemical absorbs ultraviolet rays thereby preventing sunburn. However, it's chemical structure and behavior is similar to an industrial free radical generator. In Europe, this chemical was withdrawn in 1989 for unstated reasons. In the US it was never approved for use in sunscreens.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Ultraviolet radiation-induced suppression of contact hypersensitivity in relation to padimate O and oxybenzone.
1989 Mar
Patents

Patents

Sample Use Guides

5% in Petrolatum. Applied 30 to 60 minutes before irradiation
Route of Administration: Topical
Two strains of yeast were used for activity evaluation. Cells were grown m the dark m squad YEPD medium, harvested in exponential phase from an overnight culture or m stationary phase from a 48-h culture, washed twice with water and illuminated at 2 x 10^7 colony-forming units per ml m 20 mM sodium phosphate, pH 7 4, with gentle bubbling with sterile air to keep them suspended. The solubility of Padtmate was estimated at 50 mkM by comparing the peak absorbance (290 nm) of a saturated solution in buffer with the peak absorbance (312 nm) of standard solutions in methanol. To add chemicals, 10 mk1 of a solution methanol was added to IO ml of yeast suspension: controls received ethanol alone.
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:38:55 GMT 2023
Edited
by admin
on Fri Dec 15 17:38:55 GMT 2023
Record UNII
956679A27P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPENTYL P-DIMETHYLAMINOBENZOATE
Common Name English
ISOPENTYL ALCOHOL, P-(DIMETHYLAMINO)BENZOATE
Common Name English
4-(DIMETHYLAMINO)BENZOIC ACID 3-METHYLBUTYL ESTER
MI  
Systematic Name English
BENZOIC ACID, 4-(DIMETHYLAMINO)-, 3-METHYLBUTYL ESTER
Common Name English
BENZOIC ACID, P-(DIMETHYLAMINO)-, ISOPENTYL ESTER
Common Name English
SOAMYL P-(N,N-DIMETHYLAMINO)BENZOATE
Common Name English
ISOAMYL P-DIMETHYLAMINOBENZOATE
Common Name English
4-(DIMETHYLAMINO)BENZOIC ACID 3-METHYLBUTYL ESTER [MI]
Common Name English
Code System Code Type Description
PUBCHEM
88836
Created by admin on Fri Dec 15 17:38:55 GMT 2023 , Edited by admin on Fri Dec 15 17:38:55 GMT 2023
PRIMARY
MERCK INDEX
m4524
Created by admin on Fri Dec 15 17:38:55 GMT 2023 , Edited by admin on Fri Dec 15 17:38:55 GMT 2023
PRIMARY Merck Index
CAS
21245-01-2
Created by admin on Fri Dec 15 17:38:55 GMT 2023 , Edited by admin on Fri Dec 15 17:38:55 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-288-8
Created by admin on Fri Dec 15 17:38:55 GMT 2023 , Edited by admin on Fri Dec 15 17:38:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID3046580
Created by admin on Fri Dec 15 17:38:55 GMT 2023 , Edited by admin on Fri Dec 15 17:38:55 GMT 2023
PRIMARY
FDA UNII
956679A27P
Created by admin on Fri Dec 15 17:38:55 GMT 2023 , Edited by admin on Fri Dec 15 17:38:55 GMT 2023
PRIMARY