1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-
Basic information
- CAS
53338-05-9- Standard SMILES
CC(C)CCC1(C)OCC=CCO1- InChIKey
FFANAZFONFVGKZ-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-
- IUPAC
- 2-methyl-2-(3-methylbutyl)-4,7-dihydro-1,3-dioxepine
- English name
- AMBERSAGE
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-4,7-Dihydro-2-isopentyl-2-methyl-1,3-dioxepinEINECS 258-487-24,7-Dihydro-2-methyl-2-(3-methylbutyl)-1,3-dioxepinDTXSID2068842RefChem:72788DTXCID8041406258-487-253338-05-92-methyl-2-(3-methylbutyl)-4,7-dihydro-1,3-dioxepineamber dioxepineSCHEMBL878491
Show more names
AMBERSAGE4,7-dihydro-2-methyl-2-(3-methylbutyl)-3-dioxepin3-Dioxepin,4,7-dihydro-2-methyl-2-(3-methylbutyl)-1
2-methyl-2-(3-methylbutyl)-4,7-dihydro-2H-1,3-dioxepineNS00012714
Database identifiers
- CAS
53338-05-9- PubChem CID
- 104471
- DTXSID
DTXSID2068842- EC Number
- 258-487-2
- Nikkaji
- J295.934H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Odor
- 100 % · at 100.00 %. fresh lavender sweet herbal amber
- Odor Type
- herbal
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.816 · 2.816 (est)
- EPA Substance Registry System
- 1 · 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)- (53338-05-9)
- 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: 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-
1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxepin, 4,7-dihydro-2-methyl-2-(3-methylbutyl)-: ACTIVE
Suppliers
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Related reactions
2 records
Compound notes
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