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Cas Database |
| Name |
10-Undecenoic acid,methyl ester |
EINECS | 203-910-8 |
| CAS No. | 111-81-9 | Density | 0.88 g/cm3 |
| PSA | 26.30000 | LogP | 3.46620 |
| Solubility | 794μg/L at 20℃ | Melting Point |
26-27℃ |
| Formula | C12H22O2 | Boiling Point | 247.3 °C at 760 mmHg |
| Molecular Weight | 198.305 | Flash Point | 99.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | Xn,N |
| Synonyms |
10-Hendecenoicacid methyl ester;Maskod MNS 01-10;Methyl 10-undecenoate;Methyl10-undecylenate;Methyl undec-10-enylate;Methyl undecenoate;NSC 1273;Undecylenic acid methyl ester; |
Article Data | 107 |
10-Undecenoic acid,methyl ester Synthetic route
| Conditions | Yield |
|---|---|
| With monoammonium 12-tungstophosphate for 12h; Heating; | 100% |
| With sulfuric acid In methanol for 6h; Reflux; | 100% |
| Stage #1: methanol; 10-undecenoic acid With thionyl chloride at 10 - 20℃; for 12h; Stage #2: With potassium carbonate In water pH=> 9; | 99% |
| Conditions | Yield |
|---|---|
| In methanol at 0 - 20℃; for 6h; | 100% |
| Conditions | Yield |
|---|---|
| 98% | |
| In dichloromethane at 20℃; for 1h; Inert atmosphere; | 92% |
| With potassium carbonate | 87% |
| Conditions | Yield |
|---|---|
| Stage #1: 4-quinolylmethyl undec-10-enoate With ammonium formate; 1,2-bis-(diphenylphosphino)ethane; bis(dibenzylideneacetone)-palladium(0) In dimethyl sulfoxide at 50℃; for 12h; Reduction; Deprotection; Stage #2: methyl iodide With sodium carbonate In water; dimethyl sulfoxide at 20℃; for 12h; Methylation; | 95% |
| Conditions | Yield |
|---|---|
| With Amberlyst 15 at 60℃; for 48h; | 94% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide Inert atmosphere; Reflux; | 93% |
| With sodium hydroxide for 48h; Reflux; | 93% |
| Conditions | Yield |
|---|---|
| With sulfuric acid for 4h; Inert atmosphere; Reflux; | 92% |
- 111-81-9
Methyl 10-undecenoate
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In benzene for 6h; Heating; | 90% |
- 104367-60-4
11-tert-Butylperoxy-11-methoxy-undec-1-ene
- 111-81-9
Methyl 10-undecenoate
| Conditions | Yield |
|---|---|
| In methanol at 60℃; | 89% |
- 1227261-77-9
methyl 11-(benzo[d]thiazol-2-ylsulfonyl)-10-hydroxyundecanoate
- 111-81-9
Methyl 10-undecenoate
| Conditions | Yield |
|---|---|
| With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 20℃; for 17h; | 89% |
10-Undecenoic acid,methyl ester Specification
The 10-Undecenoic acid,methyl ester is an organic compound with the formula C12H22O2. The IUPAC name of this chemical is methyl undec-10-enoate. With the CAS registry number 111-81-9, it is also named as Methyl 10-undecenate. The product's category is Aromatic Esters. Besides, it should be stored in a cool and well-ventilated place.
Physical properties about 10-Undecenoic acid,methyl ester are: (1)ACD/LogP: 4.45; (2)ACD/LogD (pH 5.5): 4.45; (3)ACD/LogD (pH 7.4): 4.45; (4)ACD/BCF (pH 5.5): 1416.9; (5)ACD/BCF (pH 7.4): 1416.9; (6)ACD/KOC (pH 5.5): 6270.86; (7)ACD/KOC (pH 7.4): 6270.86; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 10; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.438; (12)Molar Refractivity: 59.14 cm3; (13)Molar Volume: 225.1 cm3; (14)Polarizability: 23.44×10-24cm3; (15)Surface Tension: 29.1 dyne/cm; (16)Density: 0.88 g/cm3; (17)Flash Point: 99.3 °C; (18)Enthalpy of Vaporization: 48.45 kJ/mol; (19)Boiling Point: 247.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0259 mmHg at 25°C.
Preparation of 10-Undecenoic acid,methyl ester: this chemical can be prepared by methanol and undec-10-enoic acid. This reaction is a kind of Esterification. This reaction will need reagent H2SO4. The reaction time is 3 hours by heating.
Uses of 10-Undecenoic acid,methyl ester: it can be used to produce 10-oxo-decanoic acid methyl ester. It will need reagent ozone.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCCCCCCC\C=C
(2)InChI: InChI=1/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
(3)InChIKey: KISVAASFGZJBCY-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
(5)Std. InChIKey: KISVAASFGZJBCY-UHFFFAOYSA-N
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