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cis-3-Hexenyl butyrate

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cis-3-Hexenyl butyrate

EINECS 240-553-7
CAS No. 16491-36-4 Density 0.892 g/cm3
PSA 26.30000 LogP 2.68600
Solubility N/A Melting Point N/A
Formula C10H18O2 Boiling Point 217.1 °C at 760 mmHg
Molecular Weight 170.252 Flash Point 79 °C
Transport Information N/A Appearance clear colorless liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 16491-36-4 (CIS-3-HEXENYL BUTYRATE) Hazard Symbols IrritantXi

Butanoicacid, (3Z)-3-hexenyl ester (9CI);Butanoic acid, 3-hexenyl ester, (Z)-;Butyricacid, 3-hexenyl ester, (Z)- (8CI);(Z)-3-Hexen-1-ol butanoate;(Z)-3-Hexen-1-ylbutyrate;(Z)-3-Hexenyl butanoate;(Z)-3-Hexenyl butyrate;cis-3-Hexenylbutanoate;cis-3-Hexenyl butyrate;cis-Hex-3-en-1-yl butyrate;

Article Data 4

cis-3-Hexenyl butyrate Specification

This chemical is called Butanoic acid, (3Z)-3-hexen-1-yl ester, and its CAS registry number is 16491-36-4. With the molecular formula of C10H18O2, its product categories are Alphabetical Listings; Flavors and Fragrances; G-H. It has the fragrance of fruit, wine, green, aromatic cheese. In the days of the flavor, it can be used as modifiers of acetic acid ester leaves. Additionally, it can be obtained by the leaf alcohol and butyric acid.

Other characteristics of the Butanoic acid, (3Z)-3-hexen-1-yl ester can be summarised as followings: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 259.06; (6)ACD/BCF (pH 7.4): 259.06; (7)ACD/KOC (pH 5.5): 1858.33; (8)ACD/KOC (pH 7.4): 1858.33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 50.21 cm3; (15)Molar Volume: 190.6 cm3; (16)Polarizability: 19.9×10-24cm3; (17)Surface Tension: 28.8 dyne/cm; (18)Density: 0.892 g/cm3; (19)Flash Point: 79 °C; (20)Enthalpy of Vaporization: 45.35 kJ/mol; (21)Boiling Point: 217.1 °C at 760 mmHg; (22)Vapour Pressure: 0.135 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. 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:
2.InChI: InChI=1/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-

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