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612-19-1

612-19-1 Structure

612-19-1 Structure
IdentificationMore
[Name]

2-ETHYLBENZOIC ACID
[CAS]

612-19-1
[Synonyms]

2-ETHYLBENZOIC ACID
O-ETHYLBENZOIC ACID
RARECHEM AL BO 0469
Benzoic acid, 2-ethyl-
Benzoic acid, 2-ethyl-(9CI)
[Molecular Formula]

C9H10O2
[MDL Number]

MFCD00045838
[Molecular Weight]

150.17
[MOL File]

612-19-1.mol
Chemical PropertiesBack Directory
[Appearance]

White to off-white crystalline powder
[Melting point ]

62-66 °C(lit.)
[Boiling point ]

259.7±9.0℃ (760 Torr)
[density ]

1.114±0.06 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.53 (589.3 nm 20℃)
[Fp ]

120.8±13.4℃
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder
[pka]

pK1:3.79 (25°C)
[color ]

White to off-white
[InChI]

InChI=1S/C9H10O2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
[InChIKey]

CGMMPMYKMDITEA-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=CC=C1CC
[CAS DataBase Reference]

612-19-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

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 ]

29163900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White to off-white crystalline powder
[Uses]

2-Ethylbenzoic acid has been employed:
  • as substrate for microbial asymmetric synthesis of (S)-3-methylphthalide
  • in synthesis of γ-lactones and bis(2-ethylbenzoyl)peroxide
Spectrum DetailBack Directory
[Spectrum Detail]

2-ETHYLBENZOIC ACID(612-19-1)1HNMR
2-ETHYLBENZOIC ACID(612-19-1)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

612-19-1(sigmaaldrich)
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