21245-02-3

Basic information

• Product Name: 2-Ethylhexyl 4-dimethylaminobenzoate
• Synonyms: SYNCURE EHA;TIMTEC-BB SBB008471;N,N-DIMETHYLAMINOBENZOIC ACID ISOOCTYL ESTER;N,N-DIMETHYL-4-AMINOBENZOIC ACID 2-ETHYL-HEXYL ESTER;PADIMATE O;P-DIMETHYL-AMINOBENZOIC ACID ISOOCTYL ESTER;OCTYL 4-DIMETHYLAMINOBENZOATE;OCTYL-4-N,N-DIMETHYLAMINOBENZOATE
• CAS NO: 21245-02-3
• Molecular Formula: C₁₇H₂₇NO₂
• Molecular Weight: 277.4
• EINECS: 244-289-3
• Product Categories: Photo Initiators;Aromatic Esters;Amine Photochemical Coinitiators;Polymer Science;Polymerization Initiators;Photoinitiator-EHA
• Mol File: 21245-02-3.mol
• Article Data: 7

Chemical Properties

• Melting Point: 242.5-243.5 °C
• Boiling Point: 325 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 0.995 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.25E-07mmHg at 25°C
• Refractive Index: n20/D 1.542(lit.)
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 2.39±0.12(Predicted)
• Water Solubility: 100μg/L at 20℃
• Merck: 14,3232
• CAS DataBase Reference: 2-Ethylhexyl 4-dimethylaminobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Ethylhexyl 4-dimethylaminobenzoate(21245-02-3)
• EPA Substance Registry System: 2-Ethylhexyl 4-dimethylaminobenzoate(21245-02-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-27-36
• WGK Germany: 2
• TSCA: Yes
• Hazardous Substances Data: 21245-02-3(Hazardous Substances Data)

Usage

Chemical Properties

Colorless to yellow liquid

Uses

Different sources of media describe the Uses of 21245-02-3 differently. You can refer to the following data:
1. Ultraviolet screen Arlatone.
2. padimate O is the drug name for ethylhexyl dimethyl PABA, a sunscreen chemical formerly known as octyl dimethyl PABA.
3. 2-ethylhexyl-4-dimethyl-amino-benzoate is used as an UV-B-absorbing agent in sunscreens and cosmetic creams, lotions, lipsticks, sun oils, moisturizers, nail polish, etc.

General Description

Padimate O is a tertiary amine derivative of p-aminobenzoic acid (PABA), which is commonly used as a sunscreen agent in cosmetics and other sunscreen formulations due to its ability to absorb ultraviolet radiations.

InChI:InChI=1/C17H27NO2/c1-5-7-8-9-13(6-2)16-12-14(18(3)4)10-11-15(16)17(19)20/h10-13H,5-9H2,1-4H3,(H,19,20)/p-1

Upstream product

• 104-76-7 2-Ethylhexyl alcohol 
• 10287-53-3 ethyl p-dimethyaminolbenzoate 

Downstream Products

• 104-76-7 2-Ethylhexyl alcohol 
• 125628-88-8 n-decyl 4-dimethylaminobenzoate 
• 125628-89-9 n-tetradecyl 4-dimethylaminobenzoate 
• 158576-31-9 2-ethylhexyl 4-(methylamino)benzoate 
• 125628-90-2 n-hexadecyl 4-dimethylaminobenzoate 
• 77016-80-9 dodecyl 4-(N,N-dimethylamino)benzoate 
• 125628-91-3 n-octadecyl 4-dimethylaminobenzoate 

Relevant articles and documents

Flavonoid derivative

The invention relates to a novel flavonoid derivative, to an extract comprising the flavonoid derivative, to the cosmetic and pharmaceutical use thereof, to preparations comprising the flavonoid derivative or extract, and to a process for the preparation of the flavonoid derivative or extract.

Nucleophilic acyl substitutions of esters with protic nucleophiles mediated by amphoteric, oxotitanium, and vanadyl species

(Chemical Equation Presented) A diverse array of oxometallic species were examined as catalysts in nucleophilic acyl substitution (NAS) reactions of methyl (or ethyl) esters with protic nucleophiles. Among them, oxotitanium acetylacetonate (TiO(acac)2) and vanadyl chloride (VOCl 2-(THF)x) served as the most efficient and water-tolerant catalysts. Transesterifications of methyl and/or ethyl esters with functionalized (including acid- or base-sensitive) 1° and 2° alcohols can be carried out chemoselectively in refluxed toluene or xylene in a 1:1 substrate stoichiometry using 1 mol % catalyst loading. The resultant products were furnished in 85-100% yields by simple aqueous workup to remove water-soluble catalysts. The new NAS protocol is also amenable to amines and thiols in 74-91% yields, albeit with higher loading (2.5 equiv) of protic nucleophiles. Representative examples of commercial interests such as Padimate O and antioxidant additives for plastics were also examined to demonstrate their practical applications. A 1:1 adduct between TiO(acac)2 and a given 1-octadecanol was identified as (C18H37O) 2Ti(acac)2 and was responsible for its subsequent NAS of methyl esters.

Use of cyclic organic amines in dermatological compositions

The use of cyclic organic amines, as free radicals deactivators, in the preparation of cosmetic and dermatological compositions.