Chemical Properties of Cinerin I (CAS 25402-06-6)

InChI

InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-

InChI Key

FMTFEIJHMMQUJI-FPLPWBNLSA-N

Formula

C20H28O3

SMILES

CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O

Molecular Weight¹

316.43

CAS

25402-06-6

Other Names

• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»]]-
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 2-(2-butenyl)-4-hydroxy-3-methyl-2-cyclopenten-1-one
• Cinerin
• Chrysanthemummonocarboxilic acid, 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester
• Chrysanthemummonocarboxylic acid, cinerolone ester
• Cinerolone, chrysanthemummonocarboxylic acid ester
• 3-[2-Butenyl]-2-methyl-4-oxo-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate, (1R-(1«alpha»(S*(Z)),3«beta»))-
• Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1S)-3-(2Z)-2-butenyl-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R,3R)-
• Pyrethrin (Cinerin I)
• 3-(but-2-enyl)-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[853.42; 969.77]	J/mol×K	[831.35; 1053.34]
Cp,gas	853.42	J/mol×K	831.35	Joback Calculated Property
Cp,gas	873.89	J/mol×K	868.35	Joback Calculated Property
Cp,gas	893.74	J/mol×K	905.35	Joback Calculated Property
Cp,gas	913.10	J/mol×K	942.35	Joback Calculated Property
Cp,gas	932.13	J/mol×K	979.34	Joback Calculated Property
Cp,gas	950.97	J/mol×K	1016.34	Joback Calculated Property
Cp,gas	969.77	J/mol×K	1053.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cinerin I.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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