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  • Ethanone,1-(4-ethoxyphenyl)
Name:Ethanone,1-(4-ethoxyphenyl)
CAS No:1676-63-7

PRODUCT DESCRIPTION

【Name】
Ethanone,1-(4-ethoxyphenyl)-
【CAS Registry number】
1676-63-7
【Synonyms】
Acetophenone,4'-ethoxy- (6CI,7CI,8CI)
1-(4-Ethoxyphenyl)ethanone
NSC 403850
NSC 406258
p-Ethoxyacetophenone
4-Ethoxyacetophenone
【EINECS(EC#)】
216-825-6
【Molecular Formula】
C10H12O2 (Products with the same molecular formula)
【Molecular Weight】
164.2
【Inchi】
InChI=1/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H3
【InChIKey】
YJFNFQHMQJCPRG-UHFFFAOYSA-N
【Canonical SMILES】
CCOC1=CC=C(C=C1)C(=O)C
【MOL File】
1676-63-7.mol

Chemical and Physical Properties

【Appearance】
Light brown - white crystals crystals.
【Density】
1.016g/cm3
【Melting Point】
35-38℃
【Boiling Point】
268-269℃ (758 mmHg)
【Refractive Index】
1.5429 (25 C)
【Flash Point】
134℃
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:164.20108 [g/mol]
Molecular Formula:C10H12O2
XLogP3:2.1
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:164.08373
MonoIsotopic Mass:164.08373
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Formal Charge:0
Complexity:146
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:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:10

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
IRRITANT
【Safety】
Hazard Codes:Xi,T
Risk Statements:36/37/38-26-22
36/37/38:Irritating to eyes, respiratory system and skin
26:Very Toxic by inhalation
22:Harmful if swallowed
Safety Statements:26-37/39-45-36/37-28
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37:Wear suitable protective clothing and gloves
28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
WGK Germany:3
HazardClass:IRRITANT
【Specification】

white to yellow crystals and chunks or
Safety Statements:26-37/39-45-36/37-28
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37:Wear suitable protective clothing and gloves
28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)

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