| Identification | More | [Name]
2-Acetylbenzoic acid | [CAS]
577-56-0 | [Synonyms]
2'-ACETOPHENONECARBOXYLIC ACID
2-ACETYLBENZOIC ACID
3-HYDROXY-3-METHYLPHTHALIDE
ACETOPHENONE-2-CARBOXYLIC ACID
ACETOPHENONE-O-CARBOXYLIC ACID
AKOS B028763
AKOS BBS-00000782
AURORA KA-7300
BENZOYL METHIDE-O-CARBOXYLIC ACID
HYPNONE-O-CARBOXYLIC ACID
LABOTEST-BB LT01690060
METHYL PHENYL KETONE-O-CARBOXYLIC ACID
O-ACETYLBENZOIC ACID
RARECHEM AL BO 0871
Benzoic acid, 2-acetyl-
Acetophenone-2-carboxylic acid~3-Hydroxy-3-methylphthalide
2-Acetylbenzoic acid
Acetophenone-2-carboxylic acid
3-Hydroxy-3-methylphthalide
2-Acetylbenzoic acid, 98+%
2-Acetylbenzoic
3-Hydroxy-3-methylphthalide, Acetophenone-2-carboxylic acid | [EINECS(EC#)]
209-413-2 | [Molecular Formula]
C9H8O3 | [MDL Number]
MFCD00002475 | [Molecular Weight]
164.16 | [MOL File]
577-56-0.mol |
| Chemical Properties | Back Directory | [Appearance]
Yellow Solid | [Melting point ]
115-117 °C (lit.) | [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 ]
Chloroform (Slightly), Dichloromethane, Ethyl Acetate, Methanol (Slightly) | [form ]
Crystalline Powder | [pka]
pK1: 4.13 (25°C) | [color ]
Light yellow to light orange | [Water Solubility ]
Soluble in Dichloromethane and Ethyl Acetate. Slightly soluble in water. | [BRN ]
1210557 | [InChI]
InChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12) | [InChIKey]
QDAWXRKTSATEOP-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=CC=C1C(C)=O | [CAS DataBase Reference]
577-56-0(CAS DataBase Reference) | [NIST Chemistry Reference]
2-Acetylbenzoic acid(577-56-0) |
| Safety Data | Back Directory | [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
| [HS Code ]
29183000 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow Solid | [Uses]
2-Acetylbenzoic acid is used as a component of hair dyes. It is used as an intermediate for pharmaceutical, cosmetics, agrochemical and food industries. | [Uses]
A common component of hair dyes. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 40, p. 2996, 1975 DOI: 10.1021/jo00908a046 | [Purification Methods]
It crystallises from *C6H6 and H2O (15g/100mL). The oxime has m 156-157o, and the 2,4-dinitrophenylhydrazone has m 185-186o(needles from EtOH). [Yale J Am Chem Soc 69 1547 1947, Panetta & Miller Synthesis 43 1977, Beilstein 10 H 690, 10 I 330, 10 II 479, 10 III 3025, 10 IV2766.] |
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