2,4-Dodecadienoic acid,11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (2E,4E,7S)- supplier

Name
S-(+)-METHOPRENE
EINECS
CAS No. 65733-16-6
Article Data4
CAS DataBase
Density 0.913 g/cm³
Solubility
Melting Point
Formula C₁₉H₃₄O₃
Boiling Point 385.7 °C at 760 mmHg
Molecular Weight 310.477
Flash Point 162.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2,4-Dodecadienoicacid, 11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, [S-(E,E)]-;(+)-Methoprene;(7S)-Methoprene;Altoside CP 10;Altoside CP 2;Extinguish;S-Methoprene;ZR 2458;d-Methoprene;
PSA 35.53000
LogP 5.06200

2,4-Dodecadienoic acid,11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (2E,4E,7S)- Specification

The IUPAC name of 2,4-Dodecadienoic acid,11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (2E,4E,7S)- is propan-2-yl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate. With the CAS registry number 65733-16-6, it is also named as (+)-Methoprene. The product's classification code is Insecticide (growth regulator). In addition, its molecular formula is C₁₉H₃₄O₃ and its molecular weight is 310.47.

The other characteristics of 2,4-Dodecadienoic acid,11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (2E,4E,7S)- can be summarized as: (1)ACD/LogP: 5.63; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.62; (4)ACD/LogD (pH 7.4): 5.62; (5)ACD/BCF (pH 5.5): 11084.04; (6)ACD/BCF (pH 7.4): 11084.04; (7)ACD/KOC (pH 5.5): 27339.07; (8)ACD/KOC (pH 7.4): 27339.07; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 93.43 cm³; (15)Molar Volume: 339.8 cm³; (16)Polarizability: 37.04×10^-24cm³; (17)Surface Tension: 29.6 dyne/cm; (18)Density: 0.913 g/cm³; (19)Flash Point: 162.4 °C; (20)Enthalpy of Vaporization: 63.45 kJ/mol; (21)Boiling Point: 385.7 °C at 760 mmHg; (22)Vapour Pressure: 3.74E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)C)\C=C(\C=C\C[C@H](CCCC(OC)(C)C)C)C
(2)InChI: InChI=1/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+/t16-/m1/s1
(3)InChIKey: NFGXHKASABOEEW-GYMWBFJFBN
(4)Std. InChI: InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+/t16-/m1/s1
(5)Std. InChIKey: NFGXHKASABOEEW-GYMWBFJFSA-N

Product Name

S-(+)-METHOPRENE

2,4-Dodecadienoic acid,11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (2E,4E,7S)- Specification

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