CAS 22825-11-2 5-Methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene (HCID 226702)

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Basic information

CAS: 22825-11-2
Standard SMILES: COc1cc(C)cc2c1C(C)(C)CCC2(C)C
InChIKey: ZHZCSOFYUGAJBH-UHFFFAOYSA-N
Molecular formula: C16H24O
Average molar mass: 232.36 g/mol
Monoisotopic mass: 232.18271539

Names & identifiers

Preferred name: 5-Methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene
IUPAC: 5-methoxy-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

Names & synonyms

5-methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene22825-11-2DTXSID50280552RefChem:303643DTXCID50231706660-980-6NSC17414SCHEMBL9217192ZHZCSOFYUGAJBH-UHFFFAOYSA-N1,1,4,4,7-pentamethyl-5-methoxy-1,2,3,4-tetrahydronaphthaleneNSC-17414AKOS024325149

Show more names

1-methoxy-3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene

Database identifiers

CAS: 22825-11-2
PubChem CID: 226702
DTXSID: DTXSID50280552
EC Number: 660-980-6

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 279

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.