4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydrodimethyl-
Basic information
- CAS
79771-15-6- Standard SMILES
CC1=CC2C3CC(CC3O)C2C1C- InChIKey
WJYPOGJOWNDSPL-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydrodimethyl-
- IUPAC
- 3,4-dimethyltricyclo[5.2.1.02,6]dec-4-en-8-ol
- English name
- 4,7-Methano-1H-inden-5-ol,3a,4,5,6,7,7a-hexahydro-2 (or 3), 4-dimethyl
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydrodimethyl-DTXSID0010153034,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-2(or 3),4-dimethyl-RefChem:96747DTXCID30147361579771-15-6SCHEMBL30994854WJYPOGJOWNDSPL-UHFFFAOYSA-NNS001263371,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-5-olDIMETHYL CYCLORMOLHEXAHYDRODIMETHYL-4,7-METHANO[1H]INDEN-5-OL
Show more names
3a,4,5,6,7,7a-hexahydrodimethyl-7-methano-1h-inden-5-ol7-Methano-1H-inden-5-ol,3a,4,5,6,7,7a-hexahydrodimethyl-44,7-Methano-1H-inden-5-ol,3a,4,5,6,7,7a-hexahydro-2 (or 3), 4-dimethyl
Database identifiers
- CAS
79771-15-6- PubChem CID
- 174183
- DTXSID
DTXSID001015303
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 268
Experimental & physicochemical properties
FragrancesFragrance Ingredient (4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydrodimethyl-) -> IFRA transparency List
Physicochemical properties
- LogP
- 3.152 · 3.152 (est)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 4 · 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydrodimethyl- (79771-15-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H317
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- 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.
Hazard information
Regulatory Information
Chemical: 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydrodimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydrodimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H317
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydrodimethyl-: ACTIVE
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Related reactions
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Compound notes
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