CAS 6683-48-3 1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphthalene (HCID 81187)

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Basic information

CAS: 6683-48-3
Standard SMILES: Cc1ccc2c(c1)C(C)(C)CCC2(C)C
InChIKey: AISXBZVAYNUAKB-UHFFFAOYSA-N
Molecular formula: C15H22
Average molar mass: 202.33 g/mol
Monoisotopic mass: 202.1721507

Names & identifiers

Preferred name: 1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphthalene
IUPAC: 1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene
English name: 1,1,4,4,6-Pentamethyl-1,2,3,4-tetrahydronaphthalene
Molecular formula: C15H22
Molecular weight: 202.34

Names & synonyms

6683-48-31,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphthaleneEINECS 229-724-7DTXSID50216952RefChem:410502DTXCID80139443111-831-4229-724-7Naphthalene, 1,2,3,4-tetrahydro-1,1,4,4,6-pentamethyl-MFCD00833394C15H22

Show more names

6-Pentamethyl-1Bexarotene Impurity 142-methyl-5,6,7,8-tetrahydro-1,1,4,4,6-Pentamethyltetralin1,1,4,4,6-Pentamethyl-1,2,3,4-1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaph1,1,4,4,6-Pentamethyl-1,2,3,4-tetrahydrophthalene1,1,4,4,6-Pentamethyl-1,2,3,4-etrahydronaphthalene1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphtalene

SCHEMBL330266KT2SN6375FSCHEMBL1615553SCHEMBL4047286SCHEMBL8611470SCHEMBL296068311,2,3,4-Tetrahydro-1,1,4,4,6-pentamethyl-naphthaleneCS-B0383

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 236

Physicochemical properties

Melting point: 31 · 31
Boiling point: 60 · 60-64°C 0,2mm
Density: 0.882 · 0.882±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Solid
color: Colourless to Pale Yellow Oil
InChI: InChI=1S/C15H22/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3/h6-7,10H,8-9H2,1-5H3
InChIKey: AISXBZVAYNUAKB-UHFFFAOYSA-N
SMILES: C1(C)(C)C2=C(C=C(C)C=C2)C(C)(C)CC1
FDA UNII: 2 SN6375F · KT2SN6375F
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.