Basic information
- CAS
41283-72-1- Standard SMILES
CCOC(=O)C(C)c1ccc(CC(C)C)cc1- InChIKey
HXTFUVWJFLDLJP-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate
- IUPAC
- ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
- English name
- Ibuprofen Ethyl Ester
- Molecular formula
- C15H22O2
- Molecular weight
- 234.34
Names & synonyms
41283-72-1RefChem:1085021Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetateethyl 2-(4-isobutylphenyl)propanoateIbuprofen ethyl esterEthyl 2-(4-isobutylphenyl)propionateethyl 2-[4-(2-methylpropyl)phenyl]propanoateMFCD00869901VFV3GE4AS8Ibuprofen ethylHydratropic acid, p-isobutyl-, ethyl esterEINECS 255-291-9
Show more names
Ethyl IbuprofenIbuprofen Impurity 30Ibuprofen Impurity 34Ethyl 2-(p-isobutylphenyl)propionateIbuprofen arginine impurity SJB-IM-1
ethyl 2-(4-isobutyl-phenyl)-propionateIbuprofen, ethyl esterUNII-VFV3GE4AS8SCHEMBL3281060SCHEMBL8737018DTXSID00961546ethyl2-(4-isobutylphenyl)propanoateAKOS005259916
Database identifiers
- CAS
41283-72-1- PubChem CID
- 170486
- DTXSID
DTXSID00961546- UNII
- VFV3GE4AS8
- EC Number
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
LogP3.02
Physicochemical properties
- Boiling point
- 260 · 260-262 °C
- Density
- 0.967 · 0.967±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless to Pale Yellow
- InChI
- 1S/C15H22O2/c1-5-17-15(16)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3
- InChIKey
- HXTFUVWJFLDLJP-UHFFFAOYSA-N
- SMILES
- O(CC)C(=O)C(C)c1ccc(cc1)CC(C)C
- FDA UNII
- 3 GE4AS8 · VFV3GE4AS8
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P261-P280-P271
Chemistry & industry
Applications
UsesIbuprofen Ethyl Ester is a derivative of Ibuprofen, a nonsteroidal anti-inflammatory drug (NSAID) that is known to inhibit PGH synthase-1 and PGH synthase-2 with comparable potency.
Upstream & downstream products
Downstream products
Suppliers67 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Related reactions
22 records
Compound notes
Loading…