Products Categories
| CAS No.: | 627-91-8 |
|---|---|
| Name: | Monomethyl adipate |
| Article Data: | 64 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H12O4 |
| Molecular Weight: | 160.17 |
| Synonyms: | Adipicacid, methyl ester (6CI);Adipic acid, monomethyl ester (8CI);Hexanedioicacid, monomethyl ester (9CI);5-Carbomethoxypentanoic acid;6-Methoxy-6-oxohexanoic acid;Methyl 5-carboxypentanoate;Methyl adipate;Methyl hemiadipate;Methyl hydrogen adipate;Monomethyl 1,6-hexanedioate;Monomethyl adipate;NSC 55113;NSC 9389; |
| EINECS: | 211-019-0 |
| Density: | 1.126 g/cm3 |
| Melting Point: | 7-9 °C(lit.) |
| Boiling Point: | 291.6 °C at 760 mmHg |
| Flash Point: | 107.9 °C |
| Solubility: | Not miscible or difficult to mix with water. |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25-36-26 |
| PSA: | 63.60000 |
| LogP: | 0.80440 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 81158-34-1
2-Carboxy-hexanedioic acid 6-methyl ester
- 627-91-8
adipic acid monomethyl ester
| Conditions | Yield |
|---|---|
| at 160 - 165℃; | 100% |
| Conditions | Yield |
|---|---|
| With porcine liver esterase; sodium hydroxide; phosphate buffer for 6h; | 96% |
| With sodium hydroxide; phosphate buffer for 1h; Ambient temperature; pig liver esterase; | 84% |
| With potassium hydroxide In methanol; diethyl ether; acetonitrile at 0℃; for 54h; | 71% |
| Conditions | Yield |
|---|---|
| With sulfonated poly-divinylbenzene-co-triallylamine at 24.84℃; for 10h; | 95% |
| With acid | 32% |
| With hydrogenchloride Heating; | |
| With hydrogenchloride In water; toluene at 25 - 85℃; for 8.75h; | 109.6 g |
| Conditions | Yield |
|---|---|
| 95% | |
| With Jones reagent In acetone at 0℃; for 1h; Inert atmosphere; | 80% |
| With Iron(III) nitrate nonahydrate; oxygen In acetonitrile at 25℃; under 760.051 Torr; for 12h; Schlenk technique; | 65% |
- 627-91-8
adipic acid monomethyl ester
| Conditions | Yield |
|---|---|
| With Iron(III) nitrate nonahydrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium chloride; oxygen In 1,2-dichloro-ethane at 25℃; for 12h; | 94% |
- 67-56-1
methanol
- 124-04-9
Adipic acid
A
- 627-93-0
hexanedioic acid dimethyl ester
B
- 627-91-8
adipic acid monomethyl ester
| Conditions | Yield |
|---|---|
| With nickel dichloride for 13h; Heating; | A 81% B 18% |
| With aluminum oxide at 25℃; for 48h; Reagent/catalyst; Temperature; Time; Green chemistry; chemoselective reaction; | A 9% B 80% |
| With carbonic acid dimethyl ester at 180℃; under 10343.2 Torr; for 5h; Solvent; Inert atmosphere; | A 40% B 60% |
- 141-76-4
3-iodopropanoic acid
- 292638-85-8
acrylic acid methyl ester
- 627-91-8
adipic acid monomethyl ester
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; azobisisobutyronitrile; tributyltin chloride; sodium fluoride Mechanism; 1) EtOH, 20 deg C, 4 h, 2) H2O; other electrophilic olefins; | 76% |
| With sodium tetrahydroborate; azobisisobutyronitrile; tributyltin chloride; sodium fluoride 1) EtOH, r.t., 4 h, 2) H2O; Yield given. Multistep reaction; |
- 2525-16-8
O-methylcaprolactim
- 124-04-9
Adipic acid
A
- 105-60-2
caprolactam
B
- 627-91-8
adipic acid monomethyl ester
| Conditions | Yield |
|---|---|
| at 80 - 85℃; for 16h; | A n/a B 72% |
| Conditions | Yield |
|---|---|
| With chromium(VI) oxide; sulfuric acid In water; acetone for 0.666667h; Ambient temperature; | 46% |
- 627-93-0
hexanedioic acid dimethyl ester
- 64-17-5
ethanol
A
- 627-91-8
adipic acid monomethyl ester
B
- 141-28-6
diethyl adipate
C
- 18891-13-9
adipic acid ethyl methyl ester
| Conditions | Yield |
|---|---|
| With water; hydrogen In methanol under 37503.8 Torr; | A 11.2% B 43.5% C 40.5% |
What can I do for you?
Get Best Price
Specification
The Hexanedioic acid,1-methyl ester with the CAS registry number 627-91-8 and EINECS registry number 211-019-0 is also called Methyl 5-carboxypentanoate. The IUPAC name is 6-methoxy-6-oxohexanoic acid. It is a kind of clear colorless liquid and should be stored at 2-8°C. And the molecular formula is C7H12O4 and the molecular weight is 160.17. What's more, it should be stored in a cool, ventilated and dry place. The storage place must stay away from oxidant.
The properties about this chemical are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.37; (4)ACD/LogD (pH 7.4): -2.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.95; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 37.81 cm3; (15)Molar Volume: 142.1 cm3; (16)Polarizability: 14.9×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.126 g/cm3; (19)Flash Point: 107.9 °C; (20)Enthalpy of Vaporization: 58.43 kJ/mol; (21)Boiling Point: 291.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000479 mmHg at 25°C.
Preparation of Hexanedioic acid,1-methyl ester: it can be prepared by methanol and hexanedioic acid. The reaction will need reagent acid and the yield is about 32%.
Uses of Hexanedioic acid,1-methyl ester: It can be used as annexing agent of lubricant and senior fuel and solvent of emulsifier products and spices. It also can be used in compounding advanced surface active agent. And it can be used to produce 5-chlorocarbonyl-pentanoic acid methyl ester. This reaction will need reagent oxalyl chloride. The reaction time is 2 hours with heating and the yield is about 94%.
.
When you are using this chemical, please be cautious about it as the following:
It irritates to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection to avoid contacting it with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. If anarchic license, do not put this material into surroundings.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CCCCC(=O)OC
(2)InChI: InChI=1/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)
(3)InChIKey: UOBSVARXACCLLH-UHFFFAOYAI