Basic information
- CAS
24871-12-3- Standard SMILES
O=C1CC2CCCCC2O1- InChIKey
AQKZNTBBGPQPBG-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- 2(3H)-Benzofuranone, hexahydro-
- IUPAC
- 3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
- English name
- Octahydrobenzofuran-2-one
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
2(3H)-Benzofuranone, hexahydro-6051-03-2Hexahydro-3H-benzofuran-2-oneDTXSID8052271EINECS 227-955-8NSC 127884AI3-07059Cyclohexaneacetic acid, 2-hydroxy-, gamma-lactoneRefChem:439838DTXCID8030843227-955-83a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
Show more names
Octahydrobenzofuran-2-one3a,4,5,6,7,7a-Hexahydro-2(3H)-benzofuranoneCyclohexaneacetic acid, 2-hydroxy-, .γ.-lactoneCyclohexaneacetic acid, 2-hydroxy-, .gamma.-lactone
Hexahydro-1-benzofuran-2(3H)-oneHEXAHYDROBENZOFURAN-2(3H)-ONEhexahydrobenzofuranoneHexahydro-benzofuran-2-oneSCHEMBL1457085MFCD20265677NSC126360NSC127884
Database identifiers
- CAS
24871-12-3、27345-71-7、6051-03-2- PubChem CID
- 95391
- DTXSID
DTXSID8052271- EC Number
- 227-955-8
- Nikkaji
- J227.261J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Hexahydro-3H-benzofuran-2-one) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 137 °C · 137 °C(Press: 15 Torr)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 1.021 · 1.021 (est)
- EPA Substance Registry System
- 2 · 2(3H)-Benzofuranone, hexahydro- (6051-03-2)
- 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.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationChemical: 2(3H)-Benzofuranone, hexahydro-
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information2(3H)-Benzofuranone, hexahydro-: ACTIVE
Related reactions
4 records
Compound notes
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