2-Methyl-1,5-dioxaspiro[5.5]undecane
Basic information
- CAS
6413-26-9- Standard SMILES
CC1CCOC2(CCCCC2)O1- InChIKey
AUXQNFDMCKINEC-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 2-Methyl-1,5-dioxaspiro[5.5]undecane
- IUPAC
- 4-methyl-1,5-dioxaspiro[5.5]undecane
- English name
- 2-methyl-1,5-dioxaspiro[5.5]undecane
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
2-Methyl-1,5-dioxaspiro[5.5]undecane6413-26-92-Methyl-1,5-dioxaspiro(5.5)undecane1,5-Dioxaspiro[5.5]undecane, 2-methyl-Cyclohexanone 1,3-butylene glycol ketal6C00W8M69N1,5-Dioxaspiro(5.5)undecane, 2-methyl-EINECS 229-115-6NSC 46270AI3-22544NSC-46270DTXSID60863794
Show more names
herbal undecane2-methyl-5-dioxaspiro[5.5]undecane5-Dioxaspiro[5.5]undecane, 2-methyl-1
RefChem:474811DTXCID508123721,5-Dioxaspiro5.5undecane, 2-methyl-(+-)-2-METHYL-1,5-DIOXASPIRO(5.5)UNDECANE2-METHYL-1,5-DIOXASPIRO(5.5)UNDECANE, (+-)-229-115-64-methyl-1,5-dioxaspiro[5.5]undecaneUNII-6C00W8M69N
Database identifiers
- CAS
6413-26-9- PubChem CID
- 97842
- DTXSID
DTXSID60863794- UNII
- 6C00W8M69N
- EC Number
- 229-115-6
- Nikkaji
- J207.023E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Cyclohexanone 1,3-butylene glycol ketal) -> IFRA transparency List
Physicochemical properties
- Melting point
- 204 · 204-208 °C
- Boiling point
- 205 · 205-208 °C
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. herbal eucalyptus woody
- Odor Type
- herbal
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.263 · 2.263 (est)
- FDA UNII
- 6 C00W8M69N · 6C00W8M69N
- EPA Substance Registry System
- 1 · 1,5-Dioxaspiro[5.5]undecane, 2-methyl- (6413-26-9)
- 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 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: 1,5-Dioxaspiro[5.5]undecane, 2-methyl-
1,5-Dioxaspiro5.5undecane, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,5-Dioxaspiro[5.5]undecane, 2-methyl-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information1,5-Dioxaspiro[5.5]undecane, 2-methyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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