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1H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-

HCID 77154
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
3605-31-0
Standard SMILES
CC(C)(C)c1ccc2c(c1)C(C)(C)CC2
InChIKey
ZGPWHILODVHWKJ-UHFFFAOYSA-N
Molecular formula
C15H22
Average molar mass
202.33 g/mol
Monoisotopic mass
202.1721507

Names & identifiers

Preferred name
1H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-
IUPAC
5-tert-butyl-3,3-dimethyl-1,2-dihydroindene
English name
1,1-Dimethyl-6-tert-butyl-indan
Molecular formula
C15H22
Molecular weight
202.34

Names & synonyms

3605-31-01H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1,1-Dimethyl-6-tert-butylindan1,1-Dimethyl-6-(1,1-dimethylethyl)indaneEINECS 222-765-1Indan, 6-tert-butyl-1,1-dimethyl-2,3-Dihydro-1,1-dimethyl-6-(1,1-dimethylethyl)-1H-indeneDTXSID80630986-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-indene1H-Indene, 2,3-dihydro-1,1-dimethyl-6-(1,1-dimethylethyl)-RefChem:79850DTXCID6039130
Show more names
6-(tert-Butyl)-1,1-dimethylindane5-tert-butyl-3,3-dimethyl-1,2-dihydroindene
6-(tert-Butyl)-1,1-dimethylindan1,1-Dimethyl-6-tert-butyl-indan6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-indene1,1-dimethyl-6-t-butylindaneSCHEMBL2946717SCHEMBL6073558SCHEMBL30859519SCHEMBL30859520

Database identifiers

CAS
3605-31-0
PubChem CID
77154
DTXSID
DTXSID8063098
EC Number

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
231

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Boiling point
85 °C · 85 °C(Press: 3 Torr)
Density
0.9012 g/cm3 · 0.9012 g/cm3
EPA Substance Registry System
1 H-Indene, · 1H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl- (3605-31-0)
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 InformationChemical: 1H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-: INACTIVE

Suppliers1 total

Service Chemical Inc.[email protected]

Related reactions

3 records
New reaction record
HRID 971960 reaction equation
HRID 971960As reactantuspto-grants-1979_07
HRID 1447781 reaction equation
HRID 1447781As reactantuspto-grants-1979_12
HRID 2316724 reaction equation
HRID 2316724As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
222-765-1
Nikkaji
J20.941D