cis-3-Hexenyl butyrate supplier

Name
CIS-3-HEXENYL BUTYRATE
EINECS 240-553-7
CAS No. 16491-36-4
Article Data4
CAS DataBase
Density 0.892 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₈O₂
Boiling Point 217.1 °C at 760 mmHg
Molecular Weight 170.252
Flash Point 79 °C
Transport Information
Appearance clear colorless liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 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;
PSA 26.30000
LogP 2.68600

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:
1.SMILES: O=C(OCC\C=C/CC)CCC
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-
3.InChIKey: ZCHOPXVYTWUHDS-WAYWQWQTBF

Product Name

CIS-3-HEXENYL BUTYRATE

cis-3-Hexenyl butyrate Specification

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