CAS No.68133-76-6,PYRUVIC ACID CIS-3-HEXEN-1-YL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68133-76-6
Name:	PYRUVIC ACID CIS-3-HEXEN-1-YL ESTER

Formula:	C₉H₁₄O₃
Molecular Weight:	170.208
Synonyms:	Propanoicacid, 2-oxo-, (3Z)-3-hexenyl ester (9CI);Propanoic acid, 2-oxo-, 3-hexenylester, (Z)-;
EINECS:	268-703-7
Density:	0.993 g/cm³
Boiling Point:	234.1 °C at 760 mmHg
Flash Point:	93.4 °C
Solubility:	Insoluble in water; soluble in alcohol.
Appearance:	light yellow liquid
Hazard Symbols:	Xi
Risk Codes:	43
Safety:	36/37
Transport Information:	UN 3934
PSA:	43.37000
LogP:	1.47490

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Specification

The CAS registry number of Propanoic acid, 2-oxo-,(3Z)-3-hexen-1-yl ester is 68133-76-6. It belongs to the product categories of Biocides; Chemistry. This chemical is also named as cis-3-Hexenyl Pyruvate. Its EINECS registry number is 268-703-7. In addition, its molecular formula is C₉H₁₄O₃ and molecular weight is 170.21. Its IUPAC name is called [(Z)-hex-3-enyl] 2-oxopropanoate.

Physical properties about Propanoic acid, 2-oxo-,(3Z)-3-hexen-1-yl ester are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Index of Refraction: 1.445; (7)Molar Refractivity: 45.6 cm³; (8)Molar Volume: 171.3 cm³; (9)Surface Tension: 31.9 dyne/cm; (10)Density: 0.993 g/cm³; (11)Flash Point: 93.4 °C; (12)Enthalpy of Vaporization: 47.08 kJ/mol; (13)Boiling Point: 234.1 °C at 760 mmHg; (14)Vapour Pressure: 0.0539 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)OCC\C=C/CC)C
(2)InChI: InChI=1/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4-
(3)InChIKey: LKNXTZXOBHAYSR-PLNGDYQABJ