7-Isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid 2-ethylhexyl ester
[CAS# 13434-00-9]

Identification

• Name: 7-Isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid 2-ethylhexyl ester
• Synonyms: 2-Ethylhexyl 7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carboxylate; 7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carboxylic Acid 2-Ethylhexyl Ester; 2-Ethylhexyl (1R-(1Alpha,4Abeta,4Balpha,10Aalpha))-1,2,3,4,4A,4B,5,6,10,10A-Decahydro-7-Isopropyl-1,4A-Dimethylphenanthren-1-Carboxylate
• Molecular Formula: C₂₈H₄₆O₂
• Molecular Weight: 414.67
• CAS Registry Number: 13434-00-9
• EINECS: 236-561-5
• SMILES: C(OC(C3(C1C(C2C(=CC1)C=C(CC2)C(C)C)(CCC3)C)C)=O)C(CC)CCCC
• InChI: 1S/C28H46O2/c1-7-9-11-21(8-2)19-30-26(29)28(6)17-10-16-27(5)24-14-12-22(20(3)4)18-23(24)13-15-25(27)28/h13,18,20-21,24-25H,7-12,14-17,19H2,1-6H3
• InChIKey: NOOLKHUGCQHDQZ-UHFFFAOYSA-N

Properties

• Density: 0.98g/cm³ (Cal.)
• Boiling point: 493.048°C at 760 mmHg (Cal.)
• Flash point: 248.666°C (Cal.)