cis-3-Hexenyl 2-methylbutanoate

Base Information

• Chemical Name: cis-3-Hexenyl 2-methylbutanoate
• CAS No.: 10094-41-4
• Deprecated CAS: 166734-47-0,135835-64-2
• Molecular Formula: C11H20O2
• Molecular Weight: 184.2753
• European Community (EC) Number: 258-517-4,233-224-4
• UNII: N181NM2UXZ
• DSSTox Substance ID: DTXSID5052177
• Nikkaji Number: J183.085F
• Wikidata: Q27284384
• Metabolomics Workbench ID: 48144
• Mol file: 10094-41-4.mol

Synonyms:cis-3-Hexenyl 2-methylbutanoate;53398-85-9;(Z)-Hex-3-en-1-yl 2-methylbutanoate;[(Z)-hex-3-enyl] 2-methylbutanoate;(Z)-3-Hexenyl 2-methylbutyrate;cis-3-Hexenyl 2-methylbutyrate;2-Methylbutyric Acid cis-3-Hexen-1-yl Ester;(Z)-Hex-3-enyl 2-methylbutyrate;FEMA No. 3497;Butanoic acid, 2-methyl-, (3Z)-3-hexenyl ester;10094-41-4;3-Hexenyl 2-methylbutyrate, (3Z)-;UNII-N181NM2UXZ;Butanoic acid, 2-methyl-, 3-hexenyl ester, (Z)-;N181NM2UXZ;(3Z)-hex-3-en-1-yl 2-methylbutanoate;Hex-3-enyl 2-methylbutyrate;Butanoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester;3-hexen-1-yl 2-methyl butyrate;3-Hexenyl 2-methylbutyrate;3-Hexenyl 2-methylbutanoate;EINECS 233-224-4;EINECS 258-517-4;(Z)-3-hexen-1-yl 2-methyl butyrate;AI3-33349;Butyric acid, 2-methyl-, 3-hexenyl ester;cis-3-Hexenyl-2-methyl butanoate (natural);Hex-3-enyl 2-methylbutanoate;CIS-3-HEXENYL 2-METHYLBUTANOATE 97+per cent;Butanoic acid, 2-methyl-, 3-hexenyl ester;Butanoic acid, 2-methyl-, 3-hexen-1-yl ester;cis-3-Hexen-1-yl 2-Methylbutyrate;SCHEMBL309638;DTXSID5052177;FEMA 3497;3Z-Hexenyl alpha Methyl Butyrate;(Z)-3-Hexenyl 2-methylbutanoate;CHEBI:172040;JKKGTSUICJWEKB-SREVYHEPSA-N;(3Z)-3-hexenyl 2-methylbutyrate;LMFA07010804;MFCD00036530;cis-3-Hexenyl-.alpha.-methylbutyrate;hex - 3 - enyl 2 - methylbutyrate;(3Z)-3-Hexenyl 2-methylbutanoate #;(Z)-3-Hexene-1-ol 2-methylbutyrate;AKOS015841178;CS-W016997;cis-3-hexenyl Alpha Methyl Butyrate FCC;3-HEXENYL 2-METHYLBUTYRATE, CIS-;AS-62144;2-Methyl-3-hexenyl ester(Z)-Butanoic acid;cis-3-Hexenyl 2-methylbutanoate, FCC, FG;M0734;(Z) - hex - 3 - enyl 2 - methylbutyrate;(Z)-3-HEXEN-1-OL 2-METHYLBUTANOATE;2-methyl butyric acid cis-3-hexen-1-ylester;(+/-)-CIS-3-HEXENYL 2-METHYLBUTYRATE;(Z)-3-HEXENYL 2-METHYLBUTYRATE [FCC];CIS-3-HEXENYL 2-METHYLBUTYRATE [FHFI];cis-3-Hexenyl 2-methylbutanoate, >=97%, FCC;A870732;A936751;CIS-3-HEXENYL 2-METHYLBUTYRATE, (+/-)-;Q27284384;cis-3-HEXENYL ALPHA METHYL BUTYRATE FCC, NO ANTIOXIDANT

Chemical Property of cis-3-Hexenyl 2-methylbutanoate

Chemical Property:

• Vapor Pressure: 0.0613mmHg at 25°C
• Refractive Index: n20/D 1.432(lit.)
• Boiling Point: 231.8 °C at 760mmHg
• Flash Point: 79.5 °C
• PSA: 26.30000
• Density: 0.887 g/cm³
• LogP: 2.93200
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Hexenyl2-methylbutyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCCOC(=O)C(C)CC
• Isomeric SMILES: CC/C=C\CCOC(=O)C(C)CC
• Description: cis-3-Hexenyl 2-methylbutyrate has a strong, warm, fruity odor of apple and pineapple and a sweet, apple-like taste. May be synthesized from cis-3-hexenol via esterification with α-methylbutyric acid.
• Uses: cis-3-Hexenyl 2-methylbutanoate is a floral volatile released by certain plants in response to predation.