Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-

HCID 87186

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Basic information

CAS: 17610-24-1
Standard SMILES: CC(=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIKey: QZADYGNSQCABPT-UHFFFAOYSA-N
Molecular formula: C17H24O
Average molar mass: 244.37 g/mol
Monoisotopic mass: 244.18271539

Names & identifiers

Preferred name: Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-
IUPAC: 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethanone
English name: 1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)ethan-1-one
Molecular formula: C17H24O
Molecular weight: 244.37

Names & synonyms

17610-24-1Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-EINECS 241-585-4DTXSID70662215',6',7',8'-Tetrahydro-3',5',5',8',8'-pentamethyl-2'-acetonaphthoneRefChem:592507DTXCID10356007-acetyl-1,1,4,4,6-pentamethyltetralin1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethanone1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanoneUTK86UR5V61-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)ethan-1-one

Show more names

6-ACETYL-1,1,4,4,7-PENTAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE1,1,4,4,6-Pentamethyl-7-acetyl-1,2,3,4-tetrahydronaphthalene"1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethanone"1-[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethylnaphthalen)-2-yl]ethanone

1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethanoneUNII-UTK86UR5V6SCHEMBL3298635MFCD00156733AKOS024324691DA-30886NS00025788

Database identifiers

CAS: 17610-24-1
PubChem CID: 87186
DTXSID: DTXSID7066221
UNII: UTK86UR5V6
EC Number: 241-585-4
Nikkaji: J287.087H

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 340

Physicochemical properties

Melting point: 62 · 62-63.5 °C(Solv: ethanol (64-17-5))
Boiling point: 130 · 130-132 °C(Press: 2 Torr)
Density: 0.936 · 0.936±0.06 g/cm3(Predicted)
LogP: 4.527 · 4.527 (est)
FDA UNII: 86 UR5V6 · UTK86UR5V6
EPA Substance Registry System: 1 · Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)- (17610-24-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
TSCA: TSCA listed