cis-3-Hexenyl tiglate

• CAS: 67883-79-8
• Catalog Number: ACM67883798
• Category: Other Products
• Molecular Weight: 182.26
• Molecular Formula: C11H18O2
• Synonyms: (Z)-3-Hexenyl 2-methylcrotonate
• IUPAC Name: [(Z)-Hex-3-enyl] (E)-2-methylbut-2-enoate
• Canonical SMILES: CCC=CCCOC(=O)C(=CC)C
• InChI: InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+
• InChI Key: JNWQKXUWZWKUAY-JQEGGOPCSA-N
• Boiling Point: 105 °C
• Flash Point: 204 °F
• Density: 0.951 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; soluble in fats
• Appearance: Pale to faint yellow liquid; fresh green, floral aroma
• Assay: 0.98
• EC Number: 267-554-5
• Exact Mass: 182.130679813
• Isomeric SMILES: CC/C=C\CCOC(=O)/C(=C/C)/C
• MDL Number: MFCD00036528
• Monoisotopic Mass: 182.130679813
• Odor: Fresh green, floral aroma
• Packaging: 100 g
• Physical State: Liquid
• Refractive Index: n20/D 1.46(lit.)
• Topological Polar Surface Area: 26.3 Ų