1-Butylpentyl acetate
Basic information
- CAS
3857-24-7- Standard SMILES
CCCCC(CCCC)OC(C)=O- InChIKey
RBRMZGYRWVMQAS-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Overview
See also: 1-Butylpentylacetate (annotation moved to).
Names & identifiers
- Preferred name
- 1-Butylpentyl acetate
- IUPAC
- nonan-5-yl acetate
- English name
- 1-butylpentyl acetate
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29
Names & synonyms
1-Butylpentyl acetate3857-24-7nonan-5-yl acetate5-nonyl acetateNSC55896EINECS 223-367-01-Butylpentyl ethanoateSCHEMBL8669152DTXSID70191893RBRMZGYRWVMQAS-UHFFFAOYSA-NNSC 55896NSC-55896
Show more names
5-Nonanol, 5-acetateAcetic acid nonan-5-yl ester
AKOS006284171NS00030417
Database identifiers
- CAS
3857-24-7- PubChem CID
- 77465
- DTXSID
DTXSID70191893- EC Number
- 223-367-0
- Nikkaji
- J217.718H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 124
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 206 · 206-207 °C(Press: 754 Torr)
- Density
- 0.8577 g/cm3 · 0.8577 g/cm3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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