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6-Methoxytetralone(CAS No. 1078-19-9)

6-Methoxytetralone C11H12O2 (cas 1078-19-9) Molecular Structure

1078-19-9 Structure

Identification and Related Records

【Name】
6-Methoxytetralone
【Iupac name】
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
【CAS Registry number】
1078-19-9
【Synonyms】
1 (2H)-Naphthalenone, 3,4-dihydro-6-methoxy-
6-methoxy-1,2,3,4-tetrahydro-1-naphthalenone
6-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one
6-methoxytetralin-1-one
1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-
6-Methoxy-3,4-dihydro-2H-naphthalin-1-on
6-Methoxy-3,4-dihydro-1(2H)-naphthalenone
3,4-Dihydro-6-methoxy-1(2H)-naphthalenone
6-Methoxy-3, 4-dihydro-1(2H)-naphthalenone
6-Methoxy-.alpha.-tetralone
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
6-methoxy-3,4-dihydronaphthalen-1(2H)-one
6-Methoxy-alpha-tetralone
6-Methoxy-1-tetralone
6-Methoxy-1-Tetralone 98.5%
6-Methoxy Tetralone
sell:6-Metoxy-1-tetralone
6-methoxy-1-tertralone/6-Methoxytetralone
【EINECS(EC#)】
214-078-0
【Molecular Formula】
C11H12O2 (Products with the same molecular formula)
【Molecular Weight】
176.21
【Inchi】
InChI=1/C11H12O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3
【InChIKey】
MNALUTYMBUBKNX-UHFFFAOYSA-N
【Canonical SMILES】
COC1=CC2=C(C=C1)C(=O)CCC2
【MOL File】
1078-19-9.mol

Chemical and Physical Properties

【Appearance】
yellow crystalline powder
【Density】
1.124 g/cm3
【Melting Point】
77-79℃
【Boiling Point】
171℃ (11 mmHg)
【Vapour】
0.000528mmHg at 25°C
【Refractive Index】
1.548
【Flash Point】
153.4 oC
【Water】
Insoluble
【Solubilities】
Insoluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29145000
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:176.21178 [g/mol]
Molecular Formula:C11H12O2
XLogP3-AA:2
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:176.08373
MonoIsotopic Mass:176.08373
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Formal Charge:0
Complexity:200
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:1.6
Conformer Sampling RMSD:0.6
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xn: Harmful;Xi: Irritant;
【Risk Statements】
R22
【Safety Statements 】
S24/25
【Hazard Note】

Irritant

【Safety】

Hazard Codes:?HarmfulXn,IrritantXi
Risk Statements: 22-36/37/38-20/21/22?
R22:Harmful if swallowed.?
R36/37/38:Irritating to eyes, respiratory system and skin.?
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 24/25-36-26?
S24/25:Avoid contact with skin and eyes.?
S36:Wear suitable protective clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Hazard Note of 6-Methoxytetralone (CAS NO.1078-19-9): Irritant

【Specification】

? 6-Methoxytetralone (CAS NO.1078-19-9), its Synonyms are 1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy- ; 6-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one ; 6-Methoxy-1-tetralone ; 6-Methoxy-3,4-dihydro-1(2H)-naphthalenone ; 6-Methoxy-alpha-tetralone . It is yellow to light brown fine crystalline powder.

Supplier Location

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Hui Chem Company Limited
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Business Type:Manufacturer
Telephone:86-21-60542966

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