cis-3-Hexenyl isobutyrate

Base Information

• Chemical Name: cis-3-Hexenyl isobutyrate
• CAS No.: 41519-23-7
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.28
• Hs Code.: 2915900090
• European Community (EC) Number: 255-424-0,260-993-3
• UNII: R84N0RD251
• DSSTox Substance ID: DTXSID0047585
• Nikkaji Number: J150.350B
• Wikidata: Q27287956
• Metabolomics Workbench ID: 4288
• ChEMBL ID: CHEMBL3183445
• Mol file: 41519-23-7.mol

Synonyms:cis-3-Hexenyl isobutyrate;41519-23-7;(Z)-Hex-3-en-1-yl isobutyrate;3Z-Hexenyl isobutyrate;3-Hexenyl isobutanoate;Hex-3-enyl isobutyrate;3-Hexenyl 2-methypropanoate;ENT 33348;(Z)-Hex-3-enyl isobutyrate;[(Z)-hex-3-enyl] 2-methylpropanoate;Hexenyl isobutanoate, (3Z)-;beta,gamma-Hexenyl isobutanoate;Propanoic acid, 2-methyl-, (3Z)-3-hexenyl ester;Propanoic acid, 2-methyl-, 3-hexenyl ester, (Z)-;(3Z)-Hex-3-en-1-yl 2-methylpropanoate;EINECS 255-424-0;EINECS 260-993-3;cis-3-Hexenyl iso-butyrate;BRN 1759547;Isobutyric acid cis-3-hexen-1-yl ester;UNII-R84N0RD251;AI3-33348;(Z)-2-Methylpropanoic acid 3-hexenyl ester;(z)-3-hexen-1-yl isobutyrate;DTXSID0047585;Propanoic acid, 2-methyl-, 3-hexenyl ester;(Z)-3-Hexenyl isobutyrate;R84N0RD251;Propanoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester;Propanoic aicd, 2-methyl-, 3-hexenyl ester;WE(6:1(3Z)/3:0(2Me));3-02-00-00651 (Beilstein Handbook Reference);57859-47-9;(z)-3-hexenylisobutyrate;cis-3-Hexenyl i-butyrate;(3Z)-hexenyl isobutanoate;|cis|-3-Hexenyl isobutyrate;SCHEMBL112642;CHEMBL3183445;DTXCID8027585;FEMA NO. 3929;FEMA 3929;OSMAJVWUIUORGC-WAYWQWQTSA-;CHEBI:180215;OSMAJVWUIUORGC-WAYWQWQTSA-N;AMY40641;3-HEXENYL ISOBUTYRATE, CIS-;Tox21_302630;.beta.,.gamma.-Hexenyl isobutanoate;ENT-33348;Isobutyric Acid cis-3-Hexenyl Ester;LMFA07010643;MFCD00036529;(Z) - hex - 3 - enyl isobutyrate;(3Z)-3-Hexenyl 2-methylpropanoate #;CS-W017693;NCGC00256804-01;AS-59730;(Z)-3-HEXENYL ISOBUTYRATE [FHFI];CAS-41519-23-7;LS-121529;LS-121530;B1035;cis-3-HEXENYL ISOBUTYRATE, NO ANTIOXIDANT;A873045;cis-3-Hexenyl isobutyrate, >=98%, stabilized, FG;Q27287956;CIS 3 HEXENYL ISOBUTYRATE;Isobutyricacidcishexenylester;95%;InChI=1/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-

Chemical Property of cis-3-Hexenyl isobutyrate

Chemical Property:

• Appearance/Colour: Colourless liquid; fruity, nutty aroma
• Vapor Pressure: 0.182mmHg at 25°C
• Melting Point: -89.9°C (estimate)
• Refractive Index: n20/D 1.428(lit.)
• Boiling Point: 211.5 °C at 760 mmHg
• Flash Point: 85 ºC
• PSA: 26.30000
• Density: 0.878
• LogP: 2.54190
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

98% , ^*data from raw suppliers

cis-3-Hexenyl Isobutyrate >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC=CCCOC(=O)C(C)C
• Isomeric SMILES: CC/C=C\CCOC(=O)C(C)C