Bioallethrin (CAS 584-79-2)

InChI

InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3

InChI Key

ZCVAOQKBXKSDMS-UHFFFAOYSA-N

Formula

C19H26O3

SMILES

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

Molecular Weight¹

302.41

CAS

584-79-2

Other Names

Allethrin
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 2-allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one
(.+/-.)-Allelrethonyl (.+/-.)-cis,trans-chrysanthemate
Allethrine
Allyl cinerin I
Cinerin I allyl homolog
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopentene-1-yl ester
ENT 17510
Pynamin
Pyresyn
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester
(.+/-.)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl 2,2-dimethyl-3-(2-methylprop-1-enyl) cyclopropylcarboxylate
trans-Bioallethrin
trans-Allethrin
Allyl homolog of cinerin I
Bioaletrina
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, d-trans-
dl-Allethrin
D,L-2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one-D,L-chrysanthemum monocarboxylate
ENT 16275
FDA 1446
FMC 249
Necarboxylic acid
NIA 249
Pallethrine
Pyresin
Pyrethrin
2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one ester of 2,2-dimethyl-3-(2-methyl propenyl) cyclopropane carboxylic acid
3-Allyl-2-methyl-4-oxo-2-cyclopenten-1-yl chrysanthemate
3-Allyl-4-keto-2-methylcyclopentenyl chrysanthemum monocarboxylate
(RS)-3-Allyl-2-methyl-4-oxocyclopent-2-enyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
2-Methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
Alleviate
Allethrin-1
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl ester
Chrysanthemummonocarboxylic acid, 3-allyl-3-methyl-4-oxo-2-cyclopenten-1-yl ester
Exthrin
Matox
Pynamin-forte
RU 27436
3-Allyl-4-methyl-2-oxo-3-cyclopenten-1-yl ester of 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid

ω : Acentric Factor.
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).
IE : Ionization energy (eV).
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).
I_np : Non-polar retention indices.
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.

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Physical Properties

Property	Value	Unit	Source
ω	0.5265		Relay (1.0) Calculated Property
Δ_fG°	-0.81	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-486.94	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	33.23	kJ/mol	Joback Calculated Property
Δ_vapH°	85.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log₁₀WS	-3.94		Relay (1.0) Calculated Property
logP_oct/wat	4.002		Crippen Calculated Property
McVol	252.960	ml/mol	McGowan Calculated Property
P_c	1517.57	kPa	Joback Calculated Property
I_np	[2034.00; 2065.00]
I_np	2034.00		NIST
I_np	2053.00		NIST
I_np	2065.00		NIST
I_np	2034.00		NIST
I_np	2065.00		NIST
T_boil	584.62	K	Relay (1.0) Calculated Property
T_c	830.46	K	Relay (1.0) Calculated Property
T_fus	345.98	K	Relay (1.0) Calculated Property
V_c	0.865	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[792.44; 903.63]	J/mol×K	[800.99; 1021.94]

C_p,gas	792.44	J/mol×K	800.99	Joback Calculated Property
C_p,gas	812.32	J/mol×K	837.82	Joback Calculated Property
C_p,gas	831.48	J/mol×K	874.64	Joback Calculated Property
C_p,gas	850.06	J/mol×K	911.47	Joback Calculated Property
C_p,gas	868.19	J/mol×K	948.29	Joback Calculated Property
C_p,gas	886.00	J/mol×K	985.12	Joback Calculated Property
C_p,gas	903.63	J/mol×K	1021.94	Joback Calculated Property

Similar Compounds

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester.

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»]]-.

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»]]-.

Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»(E)]]-.

Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL).

(2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane.

1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS.

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside.

Find more compounds similar to Bioallethrin.

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Chemical Properties of Bioallethrin (CAS 584-79-2)

Physical Properties

Temperature Dependent Properties

Similar Compounds

Sources