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| CAS No.: | 71617-10-2 |
|---|---|
| Name: | ISOPENTYL-4-METHOXYCINNAMATE |
| Molecular Structure: | |
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|
|
| Formula: | C15H20O3 |
| Molecular Weight: | 248.322 |
| Synonyms: | 4-Methoxycinnamicacid 2-isoamyl ester;4-Methoxycinnamic acid isoamyl ester;Amiloxate;3-(4-Methoxyphenyl)-2-propenoic acid, 3-methylbutyl ester;Isoamyl 4-methoxycinnamate;Isoamyl methoxycinnamate;Isoamylp-methoxycinnamate; |
| EINECS: | 275-702-5 |
| Density: | 1.031 g/cm3 |
| Boiling Point: | 362.8 °C at 760 mmHg |
| Flash Point: | 151.6 °C |
| Solubility: | 2.47mg/L at 20℃ |
| PSA: | 35.53000 |
| LogP: | 3.29770 |
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- 71825-51-92-methyl-2-(4-nitrophenyl)propanenitrile
- 123-51-3
i-Amyl alcohol
- 24393-56-4
ethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
- 71617-10-2
isoamyl p-methoxycinnamate
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid Heating; | 89% |
- 24393-56-4
ethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
- 19533-24-5
sodium isopentoxide
- 71617-10-2
isoamyl p-methoxycinnamate
| Conditions | Yield |
|---|---|
| With i-Amyl alcohol Entfernen des entstehenden Aethanols; |
- 123-11-5
4-methoxy-benzaldehyde
- 71617-10-2
isoamyl p-methoxycinnamate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 99 percent / 4-(dimethylamino)pyridine / dimethylformamide / 25 °C 2: 89 percent / p-TsOH / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: 97 percent / 4-(dimethylamino)pyridine; acetic acid; piperidine / dimethylformamide / 10 - 25 °C 2: 89 percent / p-TsOH / Heating View Scheme |
| Conditions | Yield |
|---|---|
| With oxygen Product distribution; Mechanism; multistep reaction: 1) irradiation, hexane; |
- 71617-10-2
isoamyl p-methoxycinnamate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hexane / Irradiation 2: air-oxygen View Scheme |
- 71617-10-2
isoamyl p-methoxycinnamate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hexane / Irradiation 2: air-oxygen View Scheme |
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Chemistry
Molecular Structure of Isopentyl 4-methoxycinnamate (CAS NO.71617-10-2):
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IUPAC Name: 3-methylbutyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CAS Registry Number: 71617-10-2
EINECS: 275-702-5
Empirical Formula: C15H20O3
Molecular Weight: 248.3175
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.524
Molar Refractivity: 73.71 cm3
Molar Volume: 240.8 cm3
Surface Tension: 35.5 dyne/cm
Density: 1.031 g/cm3
Flash Point: 151.6 °C
Enthalpy of Vaporization: 60.88 kJ/mol
Boiling Point: 362.8 °C at 760 mmHg
Vapour Pressure: 1.89E-05 mmHg at 25°C
InChI
InChI=1/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3
Smiles
CC(C)CCOC(=O)\C=C\c1ccc(OC)cc1
Product Categories: Aromatic Cinnamic Acids, Esters and Derivatives; Cinnamic acid
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD | skin | > 20gm/kg (20000mg/kg) | Food and Chemical Toxicology. Vol. 30, Pg. 803, 1992. | |
| rat | LD50 | oral | 9600mg/kg (9600mg/kg) | Food and Chemical Toxicology. Vol. 30, Pg. 803, 1992. |
Specification
Isopentyl 4-methoxycinnamate , with CAS number of 14611-52-0, can be called 2-Benzoic acid, 2-propenoic acid, 3-(4-methoxyphenyl)-3-methylbutyl ester ; 3-(4-Methoxyphenyl)-2-propenoic acid, 3-methylbutyl ester ; 3-Methylbutyl 3-(4-methoxyphenyl)-2-propenoate ; Isoamyl p-methoxycinnamate ; Amiloxate [USAN] .