2-Butenoic acid, 2-methyl- supplier

Name
TIGLIC ACID
EINECS 201-295-0
CAS No. 13201-46-2
Article Data5
CAS DataBase
Density 1.01 g/cm³
Solubility
Melting Point 61-64 °C(lit.)
Formula C₅H₈O₂
Boiling Point 198.5 °C at 760 mmHg
Molecular Weight 100.117
Flash Point 96 °C
Transport Information
Appearance
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols C
Synonyms Crotonicacid, 2-methyl- (8CI);2-Methyl-2-butenoic acid;2-Methylcrotonic acid;a-Methylcrotonic acid;
PSA 37.30000
LogP 1.03720

2-Butenoic acid, 2-methyl- Specification

This chemical is called 2-Butenoic acid, 2-methyl-, and its systematic name is 2-methylbut-2-enoic acid. With the molecular formula of C₅H₈O₂, its molecular weight is 100.12. The CAS registry number of this chemical is 13201-46-2.

Other characteristics of the 2-Butenoic acid, 2-methyl- can be summarised as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): -0.99; (5)ACD/BCF (pH 5.5): 1.63; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.57; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 26.67 cm³; (15)Molar Volume: 99.1 cm³; (16)Polarizability: 10.57×10^-24cm³; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 1.01 g/cm³; (19)Flash Point: 96 °C; (20)Enthalpy of Vaporization: 47.91 kJ/mol; (21)Boiling Point: 198.5 °C at 760 mmHg; (22)Vapour Pressure: 0.152 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(=CC)C
2.InChI: InChI=1/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)
3.InChIKey: UIERETOOQGIECD-UHFFFAOYAE

Product Name

TIGLIC ACID

2-Butenoic acid, 2-methyl- Specification

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