(5S,6R)-6-Ethyl-5,6,7,8-tetrahydro-5-hydroxy-3-(hydroxymethyl)-4H-1-Benzopyran-4-one
[CAS# 69199-05-9]

Identification

• Name: (5S,6R)-6-Ethyl-5,6,7,8-tetrahydro-5-hydroxy-3-(hydroxymethyl)-4H-1-Benzopyran-4-one
• Synonyms: (5S,6R)-6-Ethyl-5-Hydroxy-3-Methylol-5,6,7,8-Tetrahydrochromen-4-One; (E)-6-Ethyl-5-Hydroxy-3-(Hydroxymethyl)-5,6,7,8-Tetrahydrochromone; 4H-1-Benzopyran-4-One, 5,6,7,8-Tetrahydro-6-Ethyl-5-Hydroxy-3-(Hydroxymethyl)-, (5S-Trans)-
• Molecular Formula: C₁₂H₁₆O₄
• Molecular Weight: 224.26
• CAS Registry Number: 69199-05-9
• SMILES: [C@H]2(C1=C(OC=C(C1=O)CO)CC[C@H]2CC)O
• InChI: 1S/C12H16O4/c1-2-7-3-4-9-10(11(7)14)12(15)8(5-13)6-16-9/h6-7,11,13-14H,2-5H2,1H3/t7-,11+/m1/s1
• InChIKey: BFQQKLXDPGTJKC-HQJQHLMTSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 468.68°C at 760 mmHg (Cal.)
• Flash point: 185.408°C (Cal.)