Benzoic acid, methyl- supplier

Name
toluic acid
EINECS 247-107-0
CAS No. 25567-10-6
Density 1.114 g/cm³
Solubility
Melting Point
Formula C₈H₈O₂
Boiling Point 278.7 °C at 760 mmHg
Molecular Weight 136.15032
Flash Point 128.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Toluic acid(8CI);Methylbenzoic acid;ar-Toluic acid;Toluicacids;
PSA 37.30000
LogP 1.69320

Benzoic acid, methyl- Specification

The CAS register number of Benzoic acid, methyl- is 25567-10-6. It also can be called as Toluicacids and the IUPAC name about this chemical is 2-methylbenzoic acid. The molecular formula about this chemical is C₈H₈O₂ and the molecular weight is 136.15032.

Physical properties about Benzoic acid, methyl- are: (1)ACD/LogP: 2.89; (2)ACD/LogD (pH 5.5): 1.64; (3)ACD/LogD (pH 7.4): 0.05; (4)ACD/BCF (pH 5.5): 5.2; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 50.03; (7)ACD/KOC (pH 7.4): 1.28; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 42.73 cm³; (14)Molar Volume: 134.7 cm³; (15)Polarizability: 16.94x10^-24cm³; (16)Surface Tension: 43.4 dyne/cm; (17)Density: 1.114 g/cm³; (18)Flash Point: 128.5 °C; (19)Enthalpy of Vaporization: 54.65 kJ/mol; (20)Boiling Point: 278.7 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1)CC
(2)InChI: InChI=1/C9H10O2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
(3)InChIKey: HXUSUAKIRZZMGP-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H10O2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
(5)Std. InChIKey: HXUSUAKIRZZMGP-UHFFFAOYSA-N

Product Name

toluic acid

Benzoic acid, methyl- Specification

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