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| CAS No.: | 16957-70-3 |
|---|---|
| Name: | trans-2-Methyl-2-pentenoic acid |
| Article Data: | 27 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H10O2 |
| Molecular Weight: | 114.144 |
| Synonyms: | 2-Pentenoicacid, 2-methyl-, (E)- (8CI);(E)-2-Methyl-2-pentenoic acid;(E)-2-Methyl-2-pentenoyl chloride; |
| EINECS: | 241-026-4 |
| Density: | 0.987 g/cm3 |
| Melting Point: | 26-28 °C(lit.) |
| Boiling Point: | 215.903 °C at 760 mmHg |
| Flash Point: | 113.863 °C |
| Solubility: | insoluble in water |
| Appearance: | clear colorless to pale yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3261 |
| PSA: | 37.30000 |
| LogP: | 1.42730 |
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Chemistry
Product Name: 2-Pentenoic acid,2-methyl-, (2E)- (CAS NO.16957-70-3)
Molecular Formula: C6H10O2
Molecular Weight: 114.14g/mol
Mol File: 16957-70-3.mol
EINECS: 241-026-4
Melting Point: 26-28 °C(lit.)
Boiling point: 215.9 °C at 760 mmHg
Flash Point: 113.9 °C
Density: 0.987 g/cm3
Refractive index: n20/D 1.46(lit.)
Surface Tension: 32.4 dyne/cm
Enthalpy of Vaporization: 49.83 kJ/mol
Vapour Pressure: 0.0554 mmHg at 25°C
XLogP3-AA: 1.4
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 2-Pentenoic acid,2-methyl-, (2E)- (CAS NO.16957-70-3):
IUPAC Name: (E)-2-methylpent-2-enoic acid
Canonical SMILES: CCC=C(C)C(=O)O
Isomeric SMILES: CC/C=C(\C)/C(=O)O
InChI: InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+
InChIKey: JJYWRQLLQAKNAD-SNAWJCMRSA-N
Product Categories: C6; Carbonyl Compounds; Carboxylic Acids
Safety Profile
Safety Information of 2-Pentenoic acid,2-methyl-, (2E)- (CAS NO.16957-70-3):
Hazard Codes: C
Risk Statements: 34
34: Causes burns
Safety Statements: 26-36/37/39-45
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR: UN 3261 8/PG 3
WGK Germany: 2
HazardClass: 8
PackingGroup: III
Specification
2-Pentenoic acid,2-methyl-, (2E)- , its CAS NO. is 16957-70-3, the synonyms are EINECS 241-026-4 ; trans-2-Methyl-2-pentenoic acid ; (E)-2-Methylpent-2-en-1-oic acid .