Rhubofix
Basic information
- CAS
41816-03-9- Standard SMILES
CC1=CCC2C3CC(C2C1)C1(C3)OC1C- InChIKey
VKPRTBDRPNWOGL-UHFFFAOYSA-N- Molecular formula
- C14H20O
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.15141526
Names & identifiers
- Preferred name
- Rhubofix
- IUPAC
- 3,4'-dimethylspiro[oxirane-2,10'-tricyclo[6.2.1.02,7]undec-4-ene]
- English name
- 3,7'-Dimethyl-3,4,4a,5,8,8a-hexahydrospiro-(1,4-methanonaphthalene- 2(1H),2'-oxirane)
- Molecular formula
- C14H20O
- Molecular weight
- 204.31
Names & synonyms
RhubofixSpiro(1,4-methanonaphthalene-2(1H),2'-oxirane), 3,4,4a,5,8,8a-hexahydro-3',7-dimethyl-EINECS 255-560-0DTXSID60520893,4,4a,5,8,8a-Hexahydro-3',7'-dimethylspiro[1,4-methanonaphthalene-2(1H),2'-oxirane]3,4,4a,5,8,8a-Hexahydro-3',7 (or 6)-dimethylspiro(1,4-methanonaphthalene-2(1H),2'-oxirane)3,4,4a,5,8,8a-Hexahydro-3',7-dimethylspiro[1,4-methanonaphthalene-2(1H),2'-oxirane]Spiro[1,4-methanonaphthalene-2(1H),2'-oxirane], 3,4,4a,5,8,8a-hexahydro-3',7-dimethyl-3,4,4a,5,8,8a-Hexahydro-3',7'-dimethylspiro(1,4-methanonaphthalene-2(1H),2'-oxirane)3,4,4a,5,8,8a-Hexahydro-3',7-dimethylspiro(1,4-methanonaphthalene-2(1H),2'-oxirane)RefChem:883071DTXCID1030656
Show more names
RHUBOFIX, FIRMENICH3,5'-Dimethylspiro[oxirane-2,9'-tricyclo[6.2.1.02,7]undec[4]ene]3,5'-Dimethylspiro[oxirane-2,9'-tricyclo[6.2.1.02,7]undec[4]ene]3,7''-Dimethyl-3,4,4a,5,8,8a-hexahydrospiro-(1,4-methanonaphthalene- 2(1H),23,4,4a,5,8,8a-Hexahydro-3′,7′-dimethylspiro(1,4-methanonaphthalin-2(1H),2′-oxiran)Spiro1,4-methanonaphthalene-2(1H),2-oxirane, 3,4,4a,5,8,8a-hexahydro-3,7-dimethyl-
255-560-041816-03-93,4'-dimethylspiro[oxirane-2,10'-tricyclo[6.2.1.02,7]undec-4-ene]3,7'-Dimethyl-3,4,4a,5,8,8a-hexahydrospiro-(1,4-methanonaphthalene- 2(1H),2'-oxirane)rhubarb oxiraneSCHEMBL3504089VKPRTBDRPNWOGL-UHFFFAOYSA-NRBA81603
Database identifiers
- CAS
41816-03-9- PubChem CID
- 94522
- DTXSID
DTXSID6052089- EC Number
- 255-560-0
- Nikkaji
- J248.398J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
FragrancesFragrance Ingredient (3,4,4a,5,8,8a-Hexahydro-3',7-dimethylspiro[1,4-methanonaphthalene-2(1H),2'-oxirane]) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 291.9 · 291.9±39.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fresh woody spicy floral fruity rhubarb zesty
- Odor Type
- woody
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.79 · 3.790 (est)
- EPA Substance Registry System
- 1 · Spiro[1,4-methanonaphthalene-2(1H),2'-oxirane], 3,4,4a,5,8,8a-hexahydro-3',7-dimethyl- (41816-03-9)
- 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 95.4% (267 of 280) of all reports.
Not Classified
Aggregated GHS information provided per 280 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Spiro[1,4-methanonaphthalene-2(1H),2'-oxirane], 3,4,4a,5,8,8a-hexahydro-3',7-dimethyl-
Spiro[1,4-methanonaphthalene-2(1H),2'-oxirane], 3,4,4a,5,8,8a-hexahydro-3',7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain Rhubofix in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationSpiro[1,4-methanonaphthalene-2(1H),2'-oxirane], 3,4,4a,5,8,8a-hexahydro-3',7-dimethyl-: ACTIVE
Applications
UsesRhubofix is a compound that has a woody, spicy, and fruity note that is used in fragrance formulations.
Suppliers
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Related reactions
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Compound notes
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