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10024-90-5

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Basic Information
CAS No.: 10024-90-5
Name: 4-METHOXY-3-METHYLACETOPHENONE
Article Data: 46
Molecular Structure:
Molecular Structure of 10024-90-5 (4-METHOXY-3-METHYLACETOPHENONE)
Formula: C10H12 O2
Molecular Weight: 164.204
Synonyms: Acetophenone,4'-methoxy-3'-methyl- (6CI,8CI); 1-(4-Methoxy-3-methylphenyl)ethanone;3'-Methyl-4'-methoxyacetophenone; 4-Acetyl-2-methylanisole;4'-Methoxy-3'-methylacetophenone
Density: 1.018g/cm3
Melting Point: 26-26.5 °C
Boiling Point: 274.3°Cat760mmHg
Flash Point: 120.3°C
Safety: A poison by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 26.30000
LogP: 2.20620
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Chemistry

Product Name: 4-Methoxy-3-methylacetophenone (CAS NO.10024-90-5)


Molecular Formula: C10H12O2
Molecular Weight: 164.22g/mol
Mol File: 10024-90-5.mol
Boiling point: 274.3 °C at 760 mmHg
Flash Point: 120.3 °C
Density: 1.018 g/cm3
Surface Tension: 33.1 dyne/cm
Enthalpy of Vaporization: 51.27 kJ/mol
Vapour Pressure: 0.00544 mmHg at 25°C
XLogP3-AA: 2.5
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 4-Methoxy-3-methylacetophenone (CAS NO.10024-90-5):
  IUPAC Name: 1-(4-Methoxy-3-methylphenyl)ethanone
  Canonical SMILES: CC1=C(C=CC(=C1)C(=O)C)OC
  InChI: InChI=1S/C10H12O2/c1-7-6-9(8(2)11)4-5-10(7)12-3/h4-6H,1-3H3 
  InChIKey: SRPCRBVBOIYYHS-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3600uL/kg (3.6mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
mouse LD50 skin 6mL/kg (6mL/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE" Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rat LD50 oral 1500uL/kg (1.5mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.

Safety Profile

A poison by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 4-Methoxy-3-methylacetophenone , its CAS NO. is 10024-90-5, the synonyms are 4-08-00-00477 (Beilstein Handbook Reference) ; AI3-10516 ; BRN 2244910 ; Acetophenone, 4'-methoxy-3'-methyl- ; Ethanone, 1-(4-methoxy-3-methylphenyl)- .