CAS No.13991-37-2,TRANS-2-PENTENOIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	13991-37-2
Name:	TRANS-2-PENTENOIC ACID
Article Data:	70

Formula:	C₅H₈O₂
Molecular Weight:	100.117
Synonyms:	2-Pentenoicacid, (E)- (8CI);(2E)-2-Pentenoic acid;(E)-2-Pentenoic acid;trans-2-Pentenoic acid;
EINECS:	237-791-9
Density:	1.008 g/cm³
Melting Point:	9-11 °C
Boiling Point:	204.7 °C at 760 mmHg
Flash Point:	97.7 °C
Appearance:	clear, colorless clear liquid.
Hazard Symbols:	C
Risk Codes:	22-34
Safety:	26-36/37/39-45
Transport Information:	UN 3265
PSA:	37.30000
LogP:	1.03720

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Specification

The IUPAC name of trans-2-Pentenoic acid is (E)-pent-2-enoic acid. With the CAS registry number 13991-37-2, it is also named as 2-Pentenoic acid, (2E)-. The product is clear colorless to light yellow liquid, and should be stored in closed, dark, ventilated and dry place at ambient temperature. Moreover, its molecular formula is C₅H₈O₂, and molecular weight is 100.12.

The other characteristics of this product can be summarized as: (1)EINECS: 237-791-9; (2)ACD/LogP: 1.33; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.52; (5)ACD/LogD (pH 7.4): -1.27; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 19.55; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 2; (11)H bond donors: 1; (12)Freely Rotating Bonds: 2; (13)Polar Surface Area: 26.3 Å²; (14)Index of Refraction: 1.452; (15)Molar Refractivity: 26.83 cm³; (16)Molar Volume: 99.3 cm³; (17)Polarizability: 10.63×10^-24cm³; (18)Surface Tension: 34.1 dyne/cm; (19)Density: 1.008 g/cm³; (20)Flash Point: 97.7 °C; (21)Melting point: 9-11 °C; (22)Enthalpy of Vaporization: 48.59 kJ/mol; (23)Boiling Point: 204.7 °C at 760 mmHg; (24)Vapour Pressure: 0.107 mmHg at 25 °C.

Preparation of trans-2-Pentenoic acid: this chemical can be prepared by Propionaldehyde and Malonic acid.

This reaction needs Pyridine to heating. The reaction time is 3 hours. The yield is 93 %.

Uses of trans-2-Pentenoic acid: it can react with Aniline to get 3-Phenylamino-pentanoic acid.

This reaction needs Toluene to heating. The reaction time is 20 hours. The yield is 72 %.

When you are using this chemical, please be cautious about it as the following: trans-2-Pentenoic acid is harmful if swallowed and may cause burns. So please wear suitable protective clothing, gloves and eye/face protection. In addition, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)/C=C/CC
(2)InChI:InChI=1/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
(3)InChIKey:YIYBQIKDCADOSF-ONEGZZNKBC
(4)Std. InChI:InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
(5)Std. InChIKey:YIYBQIKDCADOSF-ONEGZZNKSA-N