Related Searches: Ethanone,1-(2-hydroxyphenyl)-, 1-(2-hydroxyphenyl)ethanone, Ethanone,1-(2-pyrazinyl)-, Ethanone,1-cyclopropyl-2-(2-fluorophenyl)-, 1-cyclopropyl-2-(2-fluorophenyl) ethanone, View all

Ethanone,1-(2-hydroxyphenyl)-(CAS No. 118-93-4)

Ethanone,1-(2-hydroxyphenyl)- C8H8O2 (cas 118-93-4) Molecular Structure

118-93-4 Structure

Identification and Related Records

【Name】
Ethanone,1-(2-hydroxyphenyl)-
【CAS Registry number】
118-93-4
【Synonyms】
Acetophenone,2'-hydroxy- (8CI)
Acetophenone, o-hydroxy- (3CI)
1-(2-Hydroxyphenyl)ethanone
1-(6-Hydroxyphenyl)ethanone
2-Acetylphenol
2-Hydroxyphenyl methyl ketone
2-Hydroxyphenylethanone
2'-Hydroxyacetophenone
Methyl 2-hydroxyphenyl ketone
NSC 16933
NSC 44452
NSC 83568
NSC 9263
o-Acetylphenol
o-Hydroxyacetophenone
o-Hydroxyhypnone
o-Hydroxyphenyl methyl ketone
【EINECS(EC#)】
204-288-0
【Molecular Formula】
C8H8O2 (Products with the same molecular formula)
【Molecular Weight】
136.15
【Inchi】
InChI=1/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
【InChIKey】
JECYUBVRTQDVAT-UHFFFAOYSA-N
【Canonical SMILES】
CC(=O)C1=CC=CC=C1O
【MOL File】
118-93-4.mol

Chemical and Physical Properties

【Appearance】
Light yellow liquid
【Density】
1.131
【Melting Point】
4-6℃
【Boiling Point】
213℃ (717 mmHg)
【Vapour】
0.0856mmHg at 25°C
【Refractive Index】
1.558-1.56
【Flash Point】
112℃
【Water】
slightly soluble
【Solubilities】
slightly soluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29145000
【Storage temp】
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:136.14792 [g/mol]
Molecular Formula:C8H8O2
XLogP3:1.9
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:9
Exact Mass:136.05243
MonoIsotopic Mass:136.05243
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Formal Charge:0
Complexity:131
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:1
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/38
【Safety Statements 】
S26;S37/39
【Hazard Note】

Harmful/Irritant

【Safety】
Hazard Codes:Xi
Risk Statements:36/37/38-36/38
36/37/38:Irritating to eyes, respiratory system and skin
36/38:Irritating to eyes and skin
Safety Statements:26-36-37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
37/39:Wear suitable protective clothing, gloves and eye/face protection
WGK Germany:3
Hazard Note:Harmful/Irritant
HS Code:29145000
【Specification】

The o-Hydroxyacetophenone with the cas number 118-93-4, is also called (1) 1-(2-Hydroxyphenyl)ethanone ; (2) 2'-Hydroxyacetophenone ; (3) 2-Acetylphenol ; (4) 2-Hydroxyphenyl methyl ketone ; (5) Acetophenone, 2'-hydroxy- ; (6) Acetophenone, o-hydroxy- ; (7) Ethanone, 1-(2-hydroxyphenyl)- ; (8) Methyl 2-hydroxyphenyl ketone ; (9) o-Acetylphenol ; (10) o-Hydroxyacetophenone ; (11) o-Hydroxyphenyl methyl ketone so on. O-Hydroxyacetophenone belongs to the following product categories: (1)Acetophenone Series; (2)Aromatic Acetophenones & Derivatives (substituted)

Properties of o-Hydroxyacetophenone are: (1)#H bond acceptors: 2 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 37.3 ?2 ; (5)Index of Refraction: 1.552 ; (6) Molar Refractivity: 38.16 cm3 ; (7)Molar Volume: 119.3 cm3 ; (8)Polarizability: 15.12 10-24cm3 ; (9)Surface Tension: 43.9 dyne/cm ; (10)Density: 1.14 g/cm3 ; (11)Flash Point: 87.5 °C ; (12)Enthalpy of Vaporization: 47.33 kJ/mol ; (13)Boiling Point: 218.4 °C at 760 mmHg ; (14)Vapour Pressure: 0.0856 mmHg at 25°C. O-Hydroxyacetophenone seems like clear yellow to brown liquid, and slightly soluble in water.

The o-Hydroxyacetophenone is used for intermediates in synthesis pharmaceutical special intermediate of Propafenone. When you are using o-Hydroxyacetophenone, please be cautious about it. o-Hydroxyacetophenone is not only irritating to eyes, respiratory system but also to skin. In the process of using o-Hydroxyacetophenone, please wear suitable protective clothing and gloves to protect you from harm. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure :
1. SMILES:O=C(C)c1ccccc1O
2. InChI:InChI=1/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3

The o-Hydroxyacetophenone toxic data can be showed in the following sheet.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg) ? National Technical Information Service. Vol. AD277-689,

【Report】

The o-Hydroxyacetophenone with the cas number 118-93-4, is also called (1) 1-(2-Hydroxyphenyl)ethanone ; (2) 2'-Hydroxyacetophenone ; (3) 2-Acetylphenol ; (4) 2-Hydroxyphenyl methyl ketone ; (5) Acetophenone, 2'-hydroxy- ; (6) Acetophenone, o-hydroxy- ; (7) Ethanone, 1-(2-hydroxyphenyl)- ; (8) Methyl 2-hydroxyphenyl ketone ; (9) o-Acetylphenol ; (10) o-Hydroxyacetophenone ; (11) o-Hydroxyphenyl methyl ketone so on. O-Hydroxyacetophenone belongs to the following product categories: (1)Acetophenone Series; (2)Aromatic Acetophenones & Derivatives (substituted)

Properties of o-Hydroxyacetophenone are: (1)#H bond acceptors: 2 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 37.3 ?2 ; (5)Index of Refraction: 1.552 ; (6) Molar Refractivity: 38.16 cm3 ; (7)Molar Volume: 119.3 cm3 ; (8)Polarizability: 15.12 10-24cm3 ; (9)Surface Tension: 43.9 dyne/cm ; (10)Density: 1.14 g/cm3 ; (11)Flash Point: 87.5 °C ; (12)Enthalpy of Vaporization: 47.33 kJ/mol ; (13)Boiling Point: 218.4 °C at 760 mmHg ; (14)Vapour Pressure: 0.0856 mmHg at 25°C. O-Hydroxyacetophenone seems like clear yellow to brown liquid, and slightly soluble in water.

The o-Hydroxyacetophenone is used for intermediates in synthesis pharmaceutical special intermediate of Propafenone. When you are using o-Hydroxyacetophenone, please be cautious about it. o-Hydroxyacetophenone is not only irritating to eyes, respiratory system but also to skin. In the process of using o-Hydroxyacetophenone, please wear suitable protective clothing and gloves to protect you from harm. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure :
1. SMILES:O=C(C)c1ccccc1O
2. InChI:InChI=1/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3

The o-Hydroxyacetophenone toxic data can be showed in the following sheet.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg) ? National Technical Information Service. Vol. AD277-689,

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