Ambrox
Basic information
- CAS
65588-69-4- Standard SMILES
CC1(C)CCCC2(C)C3CCOC3CCC12- InChIKey
IPEPBOBQYDJNON-UHFFFAOYSA-N- Molecular formula
- C15H26O
- Average molar mass
- 222.37 g/mol
- Monoisotopic mass
- 222.19836545
Overview
structure in first source
Names & identifiers
- Preferred name
- Ambrox
- IUPAC
- 6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran
- English name
- ambrox
- Molecular formula
- C15H26O
- Molecular weight
- 222.37
Names & synonyms
65588-69-4RefChem:556924Ambrox6,6,9a-Trimethyldodecahydronaphtho[2,1-b]furanstarbld0007314SCHEMBL759448DTXSID309841676,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuranNaphtho[2,1-b]furan, dodecahydro-6,6,9a-trimethyl-
Database identifiers
- CAS
65588-69-4- PubChem CID
- 196435
- DTXSID
DTXSID30984167- Nikkaji
- J3.117.851G
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Odor
- 1 % · at 1.00 % in dipropylene glycol. dry amber ambergris paper musk woody cedar pine green seedy
- Odor Type
- amber
- LogP
- 4.975 · 4.975 (est)
- FDA UNII
- 7 N6SLJ107 · A7N6SLJ107
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Naphtho[2,1-b]furan, dodecahydro-6,6,9a-trimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
DescriptionAmbrox is an organic compound of high interest and value in the context of fragrances. It is an important ingredient due to its unique scent and excellent fixative function.
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Related reactions
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Compound notes
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