Menthyl Valerate
[CAS# 89-47-4]

Identification

• Name: Menthyl Valerate
• Synonyms: 2,3,4,5,6-Pentafluoro-N-(3,3',6'-Trihydroxyspiro[3H-Isobenzofuran-1,9'-Xanthene]-5-Yl)Benzamide; 2,3,4,5,6-Pentafluoro-N-(3,3',6'-Trihydroxy-5-Spiro[3H-Isobenzofuran-1,9'-Xanthene]Yl)Benzamide; 5-(Pentafluorobenzoylamino)Fluorescein
• Molecular Formula: C₂₇H₁₄F₅NO₆
• Molecular Weight: 543.40
• CAS Registry Number: 89-47-4
• EINECS: 201-910-2
• SMILES: C1=CC(=CC2=C1C3(OC2O)C5=C(OC4=C3C=CC(=C4)O)C=C(O)C=C5)NC(=O)C6=C(F)C(=C(F)C(=C6F)F)F
• InChI: 1S/C27H14F5NO6/c28-20-19(21(29)23(31)24(32)22(20)30)25(36)33-10-1-4-14-13(7-10)26(37)39-27(14)15-5-2-11(34)8-17(15)38-18-9-12(35)3-6-16(18)27/h1-9,26,34-35,37H,(H,33,36)
• InChIKey: AJIMMVOZOJXJKD-UHFFFAOYSA-N

Properties

• Density: 1.758g/cm³ (Cal.)
• Boiling point: 663.282°C at 760 mmHg (Cal.)
• Flash point: 354.94°C (Cal.)