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6,7-DIMETHYL-1-TETRALONE

6,7-DIMETHYL-1-TETRALONE structure

CAS No:
19550-57-3
Formula:
C12H14O
Chemical Name:
6,7-DIMETHYL-1-TETRALONE
Synonyms:
AKOS BC-0653;6,7-DIMETHYL-1-TETRALONE;3,4-Dihydro-6,7-dimethyl-1(2H)-naphthalenone;6,7-Dimethyltetralin-1-one;6,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one;6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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6,7-DIMETHYL-1-TETRALONE Basic Attributes

Molecular Weight：

174.24

Exact Mass：

174.10400

NSC Number：

210256

DSSTox ID：

DTXSID30308849

HScode：

2914399090

Characteristics

PSA：

17.1

XLogP3：

2.82240

Density：

1.054g/cm3

Melting Point：

46.0 to 50.0 °C

Boiling Point：

130°C/2mmHg(lit.)

Flash Point：

137.5ºC

Refractive Index：

1.551

Vapor Pressure：

0.000348mmHg at 25°C

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:174.24
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Exact Mass:174.104465066
Monoisotopic Mass:174.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes