Basic information
- CAS
33704-60-8- Standard SMILES
CC1C(C)(C)C2CCCCC2C1(C)C- InChIKey
TUALLFJCLUYJEN-UHFFFAOYSA-N- Molecular formula
- C14H26
- Average molar mass
- 194.36 g/mol
- Monoisotopic mass
- 194.20345083
Names & identifiers
- Preferred name
- 1H-Indene, octahydro-1,1,2,3,3-pentamethyl-
- IUPAC
- 1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene
- English name
- octahydro-1,1,2,3,3-pentamethyl-1H-indene
- Molecular formula
- C14H26
- Molecular weight
- 194.36
Names & synonyms
1H-Indene, octahydro-1,1,2,3,3-pentamethyl-Octahydro-1,1,2,3,3-pentamethyl-1H-indeneEINECS 251-648-8DTXSID30865684RefChem:79851DTXCID60814064251-648-833704-60-81,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene1,1,2,3,3-pentamethyloctahydro-1h-indenehexahydro-1,1,2,3,3-pentamethylindaneoctahydropentamethyl indene
Show more names
SCHEMBL6433750AKOS006327283NS00010117
Database identifiers
- CAS
33704-60-8- PubChem CID
- 118537
- DTXSID
DTXSID30865684- EC Number
- 251-648-8
- Nikkaji
- J308.526K
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 229.4 · 229.4±7.0 °C(Predicted)
- Density
- 0.818 · 0.818±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 9 · 9.0×10-6 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 6.656 · 6.656 (est)
- EPA Substance Registry System
- 1 H-Indene, · 1H-Indene, octahydro-1,1,2,3,3-pentamethyl- (33704-60-8)
- 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 InformationChemical: 1H-Indene, octahydro-1,1,2,3,3-pentamethyl-
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indene, octahydro-1,1,2,3,3-pentamethyl-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
BOC Sciences[email protected]
Related reactions
1 records
Compound notes
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