1-Oxaspiro[4.5]decan-2-one
Basic information
- CAS
699-61-6- Standard SMILES
O=C1CCC2(CCCCC2)O1- InChIKey
QYNYVJFXPJUEMW-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- 1-Oxaspiro[4.5]decan-2-one
- IUPAC
- 1-oxaspiro[4.5]decan-2-one
- English name
- Cyclohexanepropanoicacid,1-hydroxy-,gamma-lactone
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
1-oxaspiro[4.5]decan-2-one699-61-61-OXASPIRO(4,5)DECAN-2-ONE1-Oxaspiro(4.5)decan-2-oneBRN 01195361-Oxa-spiro[4.5]decan-2-oneDTXSID2052445Cyclohexane-1-spiro-4-butyrolactone5-17-09-00204 (Beilstein Handbook Reference)Cyclohexanepropionic acid, 1-hydroxy-, .gamma.-lactoneCyclohexanepropanoic acid, 1-hydroxy-, .gamma.-lactone1-Oxa-spiro(4.5)decan-2-one
Show more names
1-oxaspiro[4.5]decan-2-one - [X70780]Cyclohexanepropanoicacid,1-hydroxy-,gamma-lactone
RefChem:76810DTXCID4031017Cyclohexanepropanoic acid, 1-hydroxy-, gamma-lactoneCyclohexanepropionic acid, 1-hydroxy-, gamma-lactone478-240-4QYNYVJFXPJUEMW-UHFFFAOYSA-NMFCD00459846gamma,gamma-Pentamethylen-gamma-butyrolacton [German]
Database identifiers
- CAS
699-61-6- PubChem CID
- 12783
- DTXSID
DTXSID2052445- EC Number
- 478-240-4、638-883-5
- Nikkaji
- J64.605I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1-Oxaspiro[4.5]decan-2-one) -> IFRA transparency List
Physicochemical properties
- Melting point
- 26 · 26-27 °C
- Boiling point
- 138.5 · 138.5-140 °C(Press: 13 Torr)
- Density
- 1.0735 g/cm3 · 1.0735 g/cm3
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- LogP
- 1.347 · 1.347 (est)
- EPA Substance Registry System
- 1 · 1-Oxaspiro[4.5]decan-2-one (699-61-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- TSCA
- TSCA listed
- REACH Registrations
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 Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory Information
Chemical: 1-Oxaspiro[4,5]decan-2-one
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 1-Oxaspiro[4.5]decan-2-one (EC: 478-240-4)
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information1-Oxaspiro[4.5]decan-2-one: ACTIVE
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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