6-Hydroxydihydrotheaspirane
Basic information
- CAS
53398-90-6- Standard SMILES
CC1CCC2(O1)C(C)(C)CCCC2(C)O- InChIKey
LJOISVFAMDWVFA-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Overview
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol is a member of oxolanes.
Names & identifiers
- Preferred name
- 6-Hydroxydihydrotheaspirane
- IUPAC
- 2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol
Names & synonyms
6-Hydroxydihydrotheaspirane2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-olFEMA No. 3549UNII-OIZ7G4LWV8OIZ7G4LWV82,6,10,10-Tetramethyl-1-oxaspiro(4.5)decan-6-ol6-Hydroxy-2,6,10,10-tetramethyl-1-oxaspiro(4.5)decane1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-65620-50-06-HYDROXYDIHYDROTHEASPIRANE [FHFI]DTXSID7010157806-HYDROXY-2,6,10,10-TETRAMETHYL-1-OXASPIRO[4.5]DECANE
Show more names
RefChem:104774DTXCID1030812(+-)-6-HYDROXYDIHYDROTHEASPIRANE6-HYDROXYDIHYDROTHEASPIRANE, (+-)-53398-90-6SCHEMBL579382FEMA 3549CHEBI:156191
Database identifiers
- CAS
53398-90-6、65620-50-0- PubChem CID
- 65428
- ChEBI
CHEBI:156191- UNII
- OIZ7G4LWV8
- EC Number
- 639-190-0
- Nikkaji
- J1.539.233I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.006-1.010
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in fats; insoluble in water
Soluble (in ethanol)
Boiling Point211-212 °C
Refractive Index1.481-1.487
Physical DescriptionColourless to yellow liquid; Camphoraceous woody green aroma
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
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1-Oxaspiro[4.5]decan-6-ol, 2,6,10,10-tetramethyl-, [2S-[2.alpha.,5.alpha.(R*)]]-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1-Oxaspiro4.5decan-6-ol, 2,6,10,10-tetramethyl-, 2S-2.alpha.,5.alpha.(R*)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Suppliers
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Related reactions
25 records
Compound notes
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