CAS No.10094-41-4,CIS-3-HEXENYL 2-METHYLBUTANOATE 97+% Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10094-41-4
Name:	CIS-3-HEXENYL 2-METHYLBUTANOATE 97+%

Formula:	C₁₁H₂₀O₂
Molecular Weight:	184.2753
Synonyms:	Butanoicacid, 2-methyl-, 3-hexenyl ester (9CI);Butyric acid, 2-methyl-, 3-hexenylester (8CI);2-Methylbutanoic acid 3-hexenyl ester;3-Hexenyl2-methylbutanoate;3-Hexenyl 2-methylbutyrate;
EINECS:	233-224-4
Density:	0.887 g/cm³
Boiling Point:	231.8 °C at 760mmHg
Flash Point:	79.5 °C
Hazard Symbols:	N
Risk Codes:	51/53
Safety:	61
Transport Information:	UN 3077 9/PG 3
PSA:	26.30000
LogP:	2.93200

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Specification

The Butanoic acid,2-methyl-, 3-hexen-1-yl ester, with its CAS registry number 10094-41-4, has the systematic name of (3Z)-hex-3-en-1-yl 2-methylbutanoate. And it has the molecular formula of C₁₁H₂₀O₂ and the molecular weight of 184.2753.

The characteristics of Butanoic acid,2-methyl-, 3-hexen-1-yl ester are as follows: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.44; (8)Molar Refractivity: 54.8 cm³; (9)Molar Volume: 207.5 cm³; (10)Polarizability: 21.72×10^-24 cm³; (11)Surface Tension: 28.3 dyne/cm; (12)Density: 0.887 g/cm³; (13)Flash Point: 79.5 °C; (14)Enthalpy of Vaporization: 46.84 kJ/mol; (15)Boiling Point: 231.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0613 mmHg at 25°C.

When you are dealing with this chemical, you should be careful. For being a kind of dangerous chemical for the environment which may present an immediate or delayed danger to one or more components of the environment, it may also cause long-term adverse effects in the aquatic environment. Therefore, you should avoid releasing to the environment and then you could refer to special instructions/safety data sheet.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=C(OCC\C=C/CC)C(C)CC
(2)InChI:InChI=1/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
(3)InChIKey:JKKGTSUICJWEKB-SREVYHEPBS
(4)Std. InChI:InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
(5)Std. InChIKey:JKKGTSUICJWEKB-SREVYHEPSA-N