ChemicalBook--->CAS DataBase List--->586-42-5

586-42-5

586-42-5 Structure

586-42-5 Structure
IdentificationMore
[Name]

3-ACETYLBENZOIC ACID
[CAS]

586-42-5
[Synonyms]

3'-ACETOPHENONECARBOXYLIC ACID
3-ACETYLBENZOIC ACID
ACETOPHENONE-3-CARBOXYLIC ACID
BENZOYL METHIDE-M-CARBOXYLIC ACID
HYPNONE-M-CARBOXYLIC ACID
M-ACETYLBENZOIC ACID
METHYL PHENYL KETONE-M-CARBOXYLIC ACID
RARECHEM AL BO 0046
[Molecular Formula]

C9H8O3
[MDL Number]

MFCD00045847
[Molecular Weight]

164.16
[MOL File]

586-42-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to light brown crystalline powder
[Melting point ]

163-171 °C
[Boiling point ]

251.61°C (rough estimate)
[density ]

1.2132 (rough estimate)
[refractive index ]

1.5380 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Crystalline Powder
[pka]

pK1: 3.83 (25°C)
[color ]

White to light brown
[InChI]

InChI=1S/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12)
[InChIKey]

CHZPJUSFUDUEMZ-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=CC(C(C)=O)=C1
[CAS DataBase Reference]

586-42-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319
[Precautionary statements ]

P280g-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29183000
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Methanol-->Diethyl ether-->Dichloromethane-->Sodium sulfate-->Acetic anhydride-->Sodium chloride-->Sodium bicarbonate-->Acetonitrile-->Trifluoroacetic acid-->ZINC-->Allyl chloride-->3-Bromobenzonitrile-->COBALT(II) BROMIDE-->Methanesulfonic acid, 1,1,1-trifluoro-, 3-acetylphenyl ester-->3-Acetylbenzonitrile
Hazard InformationBack Directory
[Chemical Properties]

white to light brown crystalline powder
[Uses]

3-Acetylbenzoic acid has been used in preparation of 3-(2-hydroxyethyl)benzyl alcohol and methyl 3-acetylbenzoate.
Spectrum DetailBack Directory
[Spectrum Detail]

3-ACETYLBENZOIC ACID(586-42-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Acetylbenzoic acid, 98%(586-42-5)
[Alfa Aesar]

3-Acetylbenzoic acid, 98%(586-42-5)
[Sigma Aldrich]

586-42-5(sigmaaldrich)
[TCI AMERICA]

3-Acetylbenzoic Acid,>97.0%(GC)(T)(586-42-5)
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