cis-3-Hexenyl tiglate

Base Information

• Chemical Name: cis-3-Hexenyl tiglate
• CAS No.: 67883-79-8
• Molecular Formula: C11H18 O2
• Molecular Weight: 182.29
• Hs Code.: 2916190090
• European Community (EC) Number: 267-554-5
• UNII: 9S19N7N2QK
• ChEMBL ID: CHEMBL3183070
• DSSTox Substance ID: DTXSID7047562
• Metabolomics Workbench ID: 48145
• Nikkaji Number: J70.093B
• Wikidata: Q27273008
• Mol file: 67883-79-8.mol

Synonyms:cis-3-Hexenyl tiglate;67883-79-8;Hexenyl tiglate, (3Z)-;(3Z)-Hex-3-en-1-yl (2E)-2-methylbut-2-enoate;cis-3-Hexenyl-2-methyl-trans-2-butenoate;(Z)-3-Hexenyl 2-methylcrotonate;(Z)-3-Hexenyl tiglate;9S19N7N2QK;DTXSID7047562;cis-Hex-3-ene-1-yl trans-2-methyl-2-butenoate;(E,Z)-2-Methyl-2-butenoic acid 3-hexenyl ester;2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2E)-;2-BUTENOIC ACID, 2-METHYL-, 3-HEXENYL ESTER, (E,Z)-;2-Butenoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester, (2E)-;Tiglic Acid cis-3-Hexen-1-yl Ester;[(Z)-hex-3-enyl] (E)-2-methylbut-2-enoate;UNII-9S19N7N2QK;EINECS 267-554-5;3Z-Hexenyl Tiglate;BRN 2961441;(3Z)-hexenyl tiglate;AI3-35965;cis-3-Hexen-1-yl Tiglate;SCHEMBL406228;CHEMBL3183070;DTXCID5027562;FEMA NO. 3931;FEMA 3931;3-HEXENYL TIGLATE, CIS-;CHEBI:195877;Tox21_302573;LMFA07010808;MFCD00036528;AKOS025295623;NCGC00256838-01;CAS-67883-79-8;(Z)-Hex-3-enyl (E)-2-methylbut-2-enoate;NS00012594;T0934;2-Methyl-3-hexenyl ester(E,Z)-2-Butenoic acid;cis-3-Hexenyl tiglate, >=97%, stabilized, FG;2-Methyl-(3Z)-3-hexenyl ester(2E)-2-Butenoic acid;Q27273008;(Z)-3-HEXENYL (E)-2-METHYL 2-BUTENOATE [FHFI];2-Methyl-(3Z)-3-hexen-1-yl ester(2E)-2-Butenoic acid;cis-3-Hexenyl tiglate stabilized with 0.1% alpha-tocopherol

Chemical Property of cis-3-Hexenyl tiglate

Chemical Property:

• Appearance/Colour: Pale to faint yellow liquid; fresh green, floral aroma
• Vapor Pressure: 0.0306mmHg at 25°C
• Refractive Index: n20/D 1.46(lit.)
• Boiling Point: 244.3 °C at 760 mmHg
• Flash Point: 106.2 °C
• PSA: 26.30000
• Density: 0.951 g/mL at 25 °C(lit.)
• LogP: 2.85210
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 182.130679813
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

98% ^*data from raw suppliers

cis-3-Hexen-1-yl Tiglate >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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