Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

1-[4-(Benzyloxy)-3-methoxyphenyl]ethanone

Related Products

Hot Products

Name

1-[4-(Benzyloxy)-3-methoxyphenyl]ethanone

EINECS N/A
CAS No. 1835-11-6 Density 1.115g/cm3
PSA 35.53000 LogP 3.47680
Solubility N/A Melting Point 85-87°C
Formula C16H16O3 Boiling Point 396.5 °C at 760 mmHg
Molecular Weight 256.301 Flash Point 185.2 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 1835-11-6 (4-BENZYLOXY-3-METHOXYACETOPHENONE) Hazard Symbols N/A
Synonyms

Acetophenone,4'-(benzyloxy)-3'-methoxy- (6CI,7CI,8CI);1-(3-Methoxy-4-phenylmethoxyphenyl)ethanone;1-(4-Benzyloxy-3-methoxyphenyl)ethanone;3'-Methoxy-4'-(benzyloxy)acetophenone;4'-(Benzyloxy)-3'-methoxyacetophenone;Acetovanillone benzyl ether;NSC 201234;

Article Data 55

1-[4-(Benzyloxy)-3-methoxyphenyl]ethanone Specification

The 1-[4-(Benzyloxy)-3-methoxyphenyl]ethanone with the cas number 1835-11-6 is also called Ethanone,1-[3-methoxy-4-(phenylmethoxy)phenyl]-. The IUPAC name is 1-(3-methoxy-4-phenylmethoxyphenyl)ethanone. Its molecular formula is C16H16O3. The product category is Aromatic Acetophenones & Derivatives (substituted).

The properties of the chemical are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 258.57; (6)ACD/BCF (pH 7.4): 258.57; (7)ACD/KOC (pH 5.5): 1855.78; (8)ACD/KOC (pH 7.4): 1855.78; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 74.12 cm3; (15)Molar Volume: 229.6 cm3; (16)Polarizability: 29.38×10-24cm3; (17)Surface Tension: 40 dyne/cm; (18)Enthalpy of Vaporization: 64.68 kJ/mol; (19)Vapour Pressure: 1.7×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2cc(OC)c(OCc1ccccc1)cc2)C
(2)InChI: InChI=1/C16H16O3/c1-12(17)14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
(3)InChIKey: HRUAWSQBQLYDKH-UHFFFAOYAR

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42mg/kg (42mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08156,

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 1835-11-6