Basic information
- CAS
1713-11-7- Standard SMILES
Cc1cc(Cl)ccc1OCC(=O)OCC(C)C- InChIKey
VETMCNQKJNFMHJ-UHFFFAOYSA-N- Molecular formula
- C13H17ClO3
- Average molar mass
- 256.72 g/mol
- Monoisotopic mass
- 256.0866221
Names & identifiers
- Preferred name
- MCPA-isobutyl
- IUPAC
- 2-methylpropyl 2-(4-chloro-2-methylphenoxy)acetate
- English name
- isobutyl 4-chloro-o-tolyloxyacetate
- Molecular formula
- C13H17ClO3
- Molecular weight
- 256.73
Names & synonyms
MCPA-isobutyl1713-11-7Isobutyl 4-chloro-o-tolyloxyacetateMCPA-isobutyl [ISO]2-methylpropyl 2-(4-chloro-2-methylphenoxy)acetateAcetic acid, ((4-chloro-o-tolyl)oxy)-, isobutyl ester5MV8ZWP17MIsobutyl 2-methyl-4-chlorophenoxyacetateAcetic acid, (4-chloro-2-methylphenoxy)-, 2-methylpropyl esterMCPA, isobutyl esterEINECS 216-988-3UNII-5MV8ZWP17M
Show more names
(4-Chloro-2-methylphenoxy)acetic acid isobutyl esterAcetic acid, 2-(4-chloro-2-methylphenoxy)-, 2-methylpropyl ester
MCPA ISOBUTYL2M-4C, isobutyl esterMCPA ISOBUTYL ESTERSCHEMBL4883831DTXSID0042113SCHEMBL29435277VETMCNQKJNFMHJ-UHFFFAOYSA-NNS00025624
Database identifiers
- CAS
1713-11-7- PubChem CID
- 15577
- DTXSID
DTXSID0042113- UNII
- 5MV8ZWP17M
- EC Number
- 216-988-3
- Nikkaji
- J203.105A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 120 · 120-124 °C(Press: 0.5 Torr)
- Density
- 1.125 · 1.125±0.06 g/cm3(Predicted)
- FDA UNII
- 5 MV8ZWP17M · 5MV8ZWP17M
- EPA Substance Registry System
- MCPA-isobutyl (1713-11-7)
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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