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| CAS No.: | 607-91-0 |
|---|---|
| Name: | Myristicin |
| Molecular Structure: | |
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| Formula: | C11H12O3 |
| Molecular Weight: | 192.214 |
| Synonyms: | 1,3-Benzodioxole,4-methoxy-6-(2-propenyl)- (9CI);Benzene,5-allyl-1-methoxy-2,3-(methylenedioxy)- (7CI,8CI);Myristicin (6CI);5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene;6-Allyl-4-methoxy-1,3-benzodioxole;Myristicine; |
| EINECS: | 210-146-9 |
| Density: | 1.137 g/cm3 |
| Melting Point: | <-20oC |
| Boiling Point: | 276.5 °C at 760 mmHg |
| Flash Point: | 89.8 °C |
| Hazard Symbols: | R52/53:; |
| Risk Codes: | 52/53 |
| Safety: | 61 |
| PSA: | 27.69000 |
| LogP: | 2.15240 |
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| Conditions | Yield |
|---|---|
| With potassium carbonate |
| Conditions | Yield |
|---|---|
| With potassium carbonate | |
| With potassium carbonate In acetone for 20h; Reflux; |
| Conditions | Yield |
|---|---|
| unter Wasserstoff; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 2: alkaline aqueous H2O2 3: potassium carbonate View Scheme | |
| Multi-step reaction with 3 steps 2: alkaline aqueous H2O2 3: potassium carbonate View Scheme | |
| Multi-step reaction with 3 steps 1: hexan-1-amine / 6 h / Heating 2: dihydrogen peroxide; pyridine; sodium hydroxide / water / 1.5 h / 20 °C 3: potassium carbonate / acetone / 20 h / Reflux View Scheme |
- 22934-51-6
5-allyl-2-hydroxy-3-methoxybenzaldehyde
- 607-91-0
myristicin
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: alkaline aqueous H2O2 2: potassium carbonate View Scheme | |
| Multi-step reaction with 2 steps 1: alkaline aqueous H2O2 2: potassium carbonate View Scheme | |
| Multi-step reaction with 2 steps 1: dihydrogen peroxide; pyridine; sodium hydroxide / water / 1.5 h / 20 °C 2: potassium carbonate / acetone / 20 h / Reflux View Scheme |
- 71186-63-5
2-allyloxy-3-methoxy-phenol
- 607-91-0
myristicin
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 170 - 200 °C / unter Wasserstoff 2: potassium carbonate View Scheme | |
| Multi-step reaction with 2 steps 1: 170 - 200 °C / unter Wasserstoff 2: potassium carbonate View Scheme |
- 51066-05-8
2-(allyloxy)-6-methoxyphenol
- 607-91-0
myristicin
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 170 - 200 °C / unter Wasserstoff 2: potassium carbonate View Scheme | |
| Multi-step reaction with 2 steps 1: 170 - 200 °C / unter Wasserstoff 2: potassium carbonate View Scheme |
- 607-91-0
myristicin
- 157426-98-7
2-bromo-1-(3-methoxy-4,5-methylenedioxyphenyl)propane
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 20℃; | 99.22% |
- 607-91-0
myristicin
- 52811-28-6
4-methoxy-6-propyl-benzo[1,3]dioxole
| Conditions | Yield |
|---|---|
| With 1% Pd on activated carbon; hydrogen In water at 20℃; under 760.051 Torr; for 12h; Reagent/catalyst; Green chemistry; chemoselective reaction; | 99% |
| With ethanol; palladium Hydrogenation; | |
| With hydrogen In methanol at 20℃; under 15001.5 Torr; for 2h; Autoclave; |
- 607-91-0
myristicin
- 14337-43-0
ethyl 2-chloro-2-(hydroxyimino)acetate
- 924859-11-0
ethyl 5-(3-methoxy-4,5-methylenedioxybenzyl)-4,5-dihydroisoxazole-3-carboxylate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; for 24h; | 69% |
- 762287-57-0Boronic acid, B-(4-chloro-2-methoxyphenyl)-
- 608141-41-9Acetamide, N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]-
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Specification
The Myristicin is an organic compound with the formula C11H12O3. The IUPAC name of this chemical is 4-methoxy-6-prop-2-enyl-1,3-benzodioxole. With the CAS registry number 607-91-0, it is also named as 6-Allyl-4-methoxy-1,3-benzodioxole. The product's categories are Miscellaneous Natural Products; Aromatic Phenols. Besides, it should be stored in a closed cool and dry place.
It speculated myristicin could be metabolized to MMDA, a psychoactive drug related to MDA, in the liver. This speculation has never been confirmed and studies with the closely related compounds asarone and safrole demonstrated the proposed transamination reactions did not take place in humans. There are also data to suggest myristicin can alter the toxicity and/or metabolic pathway of some compounds and it is a weak MAOI.
Physical properties about Myristicin are: (1)ACD/LogP: 3.26; (2)ACD/LogD (pH 5.5): 3.26; (3)ACD/LogD (pH 7.4): 3.26; (4)ACD/BCF (pH 5.5): 178.18; (5)ACD/BCF (pH 7.4): 178.18; (6)ACD/KOC (pH 5.5): 1421.57; (7)ACD/KOC (pH 7.4): 1421.57; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 27.69 Å2; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 53 cm3; (13)Molar Volume: 169 cm3; (14)Polarizability: 21.01×10-24cm3; (15)Surface Tension: 39.8 dyne/cm; (16)Density: 1.137 g/cm3; (17)Flash Point: 89.8 °C Enthalpy of; (18)Vaporization: 49.43 kJ/mol; (19)Boiling Point: 276.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00805 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1c2cc(cc(OC)c2OC1)C\C=C
(2)InChI: InChI=1/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
(3)InChIKey: BNWJOHGLIBDBOB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3
(5)Std. InChIKey: BNWJOHGLIBDBOB-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | oral | 400mg/kg (400mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC LIVER: FATTY LIVER DEGERATION | American Journal of Pharmacy Vol. 80, Pg. 563, 1909. |
| guinea pig | LDLo | subcutaneous | 2gm/kg (2000mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LIVER: OTHER CHANGES | American Journal of Pharmacy Vol. 80, Pg. 563, 1909. |
| human | TDLo | oral | 5700ug/kg (5.7mg/kg) | BEHAVIORAL: WAKEFULNESS BEHAVIORAL: EUPHORIA BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" | Journal of Neuropsychiatry. Vol. 2, Pg. 205, 1961. |
| rabbit | LDLo | subcutaneous | 900mg/kg (900mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LIVER: OTHER CHANGES | American Journal of Pharmacy Vol. 80, Pg. 563, 1909. |
| rat | LD50 | oral | 4260mg/kg (4260mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 30, Pg. 563, 1982. |