M&B 25105
Basic information
- CAS
66227-09-6- Standard SMILES
CCCOC(=O)COc1cccc(C(C)(C)C)c1- InChIKey
PFIYGPDMTJWGJV-UHFFFAOYSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- M&B 25105
- IUPAC
- propyl 2-(3-tert-butylphenoxy)acetate
- English name
- propyl [3-(1,1-dimethylethyl)phenoxy]acetate
- Molecular formula
- C15H22O3
- Molecular weight
- 250.33
Names & synonyms
66227-09-6PROPYL-3-TERT-BUTYLPHENOXYACETATE7G36W93Z8BDTXSID80216420RefChem:1088666DTXCID80138911M&B 25105266-265-1propyl 2-(3-tert-butylphenoxy)acetateAcetic acid, (3-(1,1-dimethylethyl)phenoxy)-, propyl esterPropyl [3-(1,1-dimethylethyl)phenoxy]acetatePropyl (3-(1,1-dimethylethyl)phenoxy)acetate
Show more names
MB-25105M&B-25105M&B-25-105M and B-25105m-tert-Butylphenoxyacetic acid propyl ester3-tert-Butylphenoxyacetic acid propyl esterAcetic acid, 2-[3-(1,1-dimethylethyl)phenoxy]-, propyl ester
Propyl 3-tert-butylphenoxyacetaten-Propyl-3-tert-butylphenoxyacetateEINECS 266-265-1BRN 2125435UNII-7G36W93Z8BPropyl m-tert-butylphenoxyacetateM & B 25-105ACETIC ACID, (m-tert-BUTYLPHENOXY)-, PROPYL ESTER
Database identifiers
- CAS
66227-09-6- PubChem CID
- 47875
- DTXSID
DTXSID80216420- UNII
- 7G36W93Z8B
- EC Number
- 266-265-1
- Nikkaji
- J21.663A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- FDA UNII
- 7 G36W93Z8B · 7G36W93Z8B
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Related reactions
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Compound notes
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