Basic information
- CAS
26218-04-2- Standard SMILES
CCCCC(CC)COC(=O)c1ccc(N)cc1- InChIKey
ZJQXUTDROPGVLH-UHFFFAOYSA-N- Molecular formula
- C15H23NO2
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.17287898
Names & identifiers
- Preferred name
- 2-Ethylhexyl 4-aminobenzoate
- IUPAC
- 2-ethylhexyl 4-aminobenzoate
- English name
- p-Aminobenzoesure-2-ethylhexylester
- Molecular formula
- C15H23NO2
- Molecular weight
- 249.35
Names & synonyms
2-ethylhexyl 4-aminobenzoate26218-04-22-ethylhexyl p-aminobenzoate7CHI67POY6UNII-7CHI67POY62-ethylhexyl4-aminobenzoateBenzoic acid, 4-amino-, 2-ethylhexyl esterP-AMINOBENZOIC ACID 2-ETHYLHEXYL ESTEREC 420-170-3RefChem:86974420-170-3607-885-8
Show more names
Etone AminePABA Ethylhexyl EsterOctyl p-AminobenzoateIsoctyl p-aminobenzoateIsooctyl para aminobenzoatep-Aminobenzoicacidisooctylester2–ethylhexyl P-aminobenzoate 99%Amino benzoic acid Isooctyl EsterP-Aminobenzoesure-2-ethylexylester
p-Aminobenzoesure-2-ethylhexylester2-ethylhexyl-4-aminobenzoateMFCD13340006SCHEMBL3372196SCHEMBL10180373MSK3425DTXSID801309631BBA21804
Database identifiers
- CAS
26218-04-2- PubChem CID
- 11436614
- DTXSID
DTXSID801309631- UNII
- 7CHI67POY6
- EC Number
- 420-170-3、607-885-8
- Nikkaji
- J594.318C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 385 · 385.0±15.0 °C(Predicted)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- pka
- 2.37 · 2.37±0.10(Predicted)
- form
- Low-Melting Solid
- color
- Pale Orange to Brown
- Stability
- Air Sensitive, Hygroscopic
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C15H23NO2/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11,16H2,1-2H3
- InChIKey
- ZJQXUTDROPGVLH-UHFFFAOYSA-N
- SMILES
- C(OCC(CC)CCCC)(=O)C1=CC=C(N)C=C1
- FDA UNII
- 7 CHI67POY6 · 7CHI67POY6
- EPA Substance Registry System
- 4 · Benzoic acid, 4-amino-, 2-ethylhexyl ester (26218-04-2)
Safety & regulation
GHS classification
GHS Classification
Warning
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Warning
H319 (78.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationStatus: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16248
Hazard Classes and Categories
Eye Irrit. 2 (78.9%)
Eye Irrit. 2 (100%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
Safety data
- wgk
- WGK 2
- hs_code
- 2922493800
- risk_code
- 50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- N
- safety_code
- 60-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Skin Irrit. 2
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Ethylhexyl-4-aminobenzoate is an impurity in the synthesis of Ethylhexyl Triazone (E918810), used in sunscreen formulations as a UV filter to block out harmful ultraviolet light.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Related reactions
1 records
Compound notes
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