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Name |
3-Hexenoic acid,(3Z)-3-hexen-1-yl ester, (3Z)- |
EINECS | 262-797-3 |
CAS No. | 61444-38-0 | Density | 0.903 g/cm3 |
PSA | 26.30000 | LogP | 3.24220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H20O2 | Boiling Point | 260.5 °C at 760 mmHg |
Molecular Weight | 196.29 | Flash Point | 92.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Hexenoicacid, (3Z)-3-hexenyl ester, (3Z)- (9CI);3-Hexenoic acid, 3-hexenyl ester,(Z,Z)-;cis-3-Hexenyl cis-3-hexenoate; |
The 3-Hexenoic acid, (3Z)-3-hexen-1-yl ester, (3Z)-, with the CAS registry number 61444-38-0, is also known as (3Z)-Hex-3-en-1-yl (3Z)-hex-3-enoate. It belongs to the product categories of Alphabetical Listings; Flavors and Fragrances; G-H. Its EINECS registry number is 262-797-3. This chemical's molecular formula is C12H20O2 and molecular weight is 196.29. What's more, its IUPAC name is [(Z)-Hex-3-enyl] (Z)-hex-3-enoate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from moisture. Besides, it can be used as food spices and fruity type essences.
Physical properties about 3-Hexenoic acid, (3Z)-3-hexen-1-yl ester, (3Z)- are: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.3; (4)ACD/LogD (pH 7.4): 4.3; (5)ACD/BCF (pH 5.5): 1086.85; (6)ACD/BCF (pH 7.4): 1086.85; (7)ACD/KOC (pH 5.5): 5186.67; (8)ACD/KOC (pH 7.4): 5186.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 59.53 cm3; (15)Molar Volume: 217.3 cm3; (16)Polarizability: 23.6×10-24 cm3; (17)Surface Tension: 30 dyne/cm; (18)Density: 0.903 g/cm3; (19)Flash Point: 92.7 °C; (20)Enthalpy of Vaporization: 49.82 kJ/mol; (21)Boiling Point: 260.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0122 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC\C=C/CC)C\C=C/CC
(2) InChI: InChI=1/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5-8H,3-4,9-11H2,1-2H3/b7-5-,8-6-
(3) InChIKey: UZJQQWFHPLYECS-SFECMWDFBB