Cyclopentanol, 3-methyl-2-pentyl-, 1-acetate
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Basic information
- CAS
76649-21-3- Standard SMILES
CCCCCC1C(C)CCC1OC(C)=O- InChIKey
QPFLWOSNOVCWND-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- Cyclopentanol, 3-methyl-2-pentyl-, 1-acetate
- IUPAC
- (3-methyl-2-pentylcyclopentyl) acetate
- English name
- 3-methyl-2-pentylcyclopentyl acetate
- Molecular formula
- C13H24O2
- Molecular weight
- 212.33
Names & synonyms
76649-21-3Cyclopentanol, 3-methyl-2-pentyl-, acetateCyclopentanol, 3-methyl-2-pentyl-, 1-acetateEINECS 278-514-1DTXSID20887810RefChem:129870DTXCID4010270953-Methyl-2-pentylcyclopentyl acetateQPFLWOSNOVCWND-UHFFFAOYSA-NNS000583383-Methyl-2-pentylcyclopentanol acetate
Database identifiers
- CAS
76649-21-3- PubChem CID
- 173533
- DTXSID
DTXSID20887810- EC Number
- 278-514-1
- Nikkaji
- J319.348I
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 256.1 · 256.1±8.0 °C(Predicted)
- Density
- 0.92 · 0.92±0.1 g/cm3(Predicted)
- EPA Substance Registry System
- 3 · Cyclopentanol, 3-methyl-2-pentyl-, acetate (76649-21-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Cyclopentanol, 3-methyl-2-pentyl-, acetate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclopentanol, 3-methyl-2-pentyl-, 1-acetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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