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| CAS No.: | 107-98-2 |
|---|---|
| Name: | 1-Methoxy-2-propanol |
| Molecular Structure: | |
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| Formula: | C4H10O2 |
| Molecular Weight: | 90.1222 |
| Synonyms: | 1-Methoxy-2-hydroxypropane;Dowtherm 209;Propylene glycol methyl ether;Propylenglykol-monomethylaether;Dowanol-33B;1-methoxypropan-2-ol;.alpha.-Propylene glycol monomethyl ether;2-Methoxy-1-methylethanol;2-Propanol,1-methoxy-;2-Propanol, 1-methoxy-;Propylene Glycol Monomethyl Ether(PM):;Propylene Glycol Monomethyl Ether;Methoxyisopropanol; |
| EINECS: | 203-539-1 |
| Density: | 0.912 g/cm3 |
| Melting Point: | - 97 °C |
| Boiling Point: | 118.5 °C at 760 mmHg |
| Flash Point: | 33.9 °C |
| Solubility: | soluble in water |
| Appearance: | colourless liquid |
| Hazard Symbols: | R10:; |
| Risk Codes: | 10 |
| Safety: | 26-24/25 |
| Transport Information: | UN 3092 3/PG 3 |
| PSA: | 29.46000 |
| LogP: | 0.01360 |
| Conditions | Yield |
|---|---|
| With pyridine N-oxide; dihydrogen peroxide; methyltrioxorhenium(VII) In methanol; water at 40℃; under 11894.7 - 36201.3 Torr; for 3h; | A 1.02% B 98% |
| With pyridine; carbon dioxide; dihydrogen peroxide; methyltrioxorhenium(VII) In methanol; water at 25 - 40℃; under 36201.3 Torr; for 3h; | A n/a B 60.25% |
| With pyridine N-oxide; carbon dioxide; dihydrogen peroxide; methyltrioxorhenium(VII) In methanol; water at 25 - 40℃; under 36201.3 Torr; for 3 - 9h; | A n/a B 51.1% |
| With pyridine N-oxide; urea hydrogen peroxide adduct; methyltrioxorhenium(VII) In methanol; water at 30℃; under 12929 Torr; |
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 120℃; for 0.116667h; Concentration; Temperature; Reagent/catalyst; Flow reactor; | 93% |
| With sodium methylate | 78% |
| With Al2O3/MgO composite at 120℃; Inert atmosphere; | 37.4% |
methanol
methyloxirane
A
1-methoxy-2-propanol
B
2-methoxypropanol
| Conditions | Yield |
|---|---|
| With MCM-41-encapsulated cetyltrimethylammonium hydroxide at 110℃; for 3h; regioselective reaction; | A 92% B n/a |
| With boron trifluoride diethyl etherate | A 36% B 39% |
| at 200℃; |
propene
A
propylene glycol
B
1-methoxy-2-propanol
C
2-methoxypropanol
D
methyloxirane
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; titanium-silicate In methanol at 40℃; | A n/a B n/a C n/a D 92% |
| With dihydrogen peroxide; titanium-silicate In methanol at 40℃; | A n/a B n/a C n/a D 78% |
| With dihydrogen peroxide; titanium-silicate In water at 30 - 80℃; under 18751.9 Torr; pH=4.5; | A n/a B n/a C n/a D 61% |
| Conditions | Yield |
|---|---|
| With iron(III) perchlorate at 20℃; for 24h; neat (no solvent); | 85% |
| With potassium In tetrahydrofuran for 2h; Heating; | 58% |
| Conditions | Yield |
|---|---|
| With Bu3Sn(HMPA)I; tri-n-butyl-tin hydride In tetrahydrofuran at 40℃; for 24h; | 75% |
propene
A
propylene glycol
B
1-methoxy-2-propanol
C
methyloxirane
| Conditions | Yield |
|---|---|
| With pyridine N-oxide; dihydrogen peroxide; methyltrioxorhenium(VII) In methanol; water at 40℃; under 36201.3 Torr; for 3h; | A 0.59% B 1.85% C 72.73% |
| With dihydrogen peroxide In methanol at 49.84℃; under 5250.53 Torr; Green chemistry; |
methanol
carbon dioxide
methyloxirane
A
1,2-propylene cyclic carbonate
B
propylene glycol
C
1-methoxy-2-propanol
D
2-methoxypropanol
E
carbonic acid dimethyl ester
| Conditions | Yield |
|---|---|
| With 6,7,9,10,12,13,20,21-octahydrodibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadecine; potassium chloride at 130℃; under 15001.5 Torr; for 8h; Reagent/catalyst; Autoclave; High pressure; | A 69.2% B 12.5% C n/a D n/a E 13.2% |
| With 6,7,9,10,12,13,20,21-octahydrodibenzo[b,h][1,4,7,10,13,16]hexaoxacyclooctadecine; potassium bromide at 130℃; under 15001.5 Torr; for 8h; Reagent/catalyst; Autoclave; High pressure; | A 62.9% B 14.4% C n/a D n/a E 12.5% |
| With potassium bromide at 130℃; under 15001.5 Torr; for 8h; Autoclave; High pressure; | A 44.1% B 6.7% C n/a D n/a E 5.8% |
methanol
methyloxirane
A
1-methoxy-2-propanol
B
2-methoxypropanol
C
1-Chloro-2-propanol
| Conditions | Yield |
|---|---|
| With Cu(L-Asp)(1,2-bis(4-pyridyl)ethylene)0.5(H2O)0.5(MeOH)0.5 at 25℃; | A 56% B 40% C 4% |
| With Cu(L-Asp)(1,2-bis(4-pyridyl)ethylene)0.5(H2O)0.5(MeOH)0.5 at 60℃; | A 49% B 47% C 4% |
methanol
carbon dioxide
methyloxirane
A
1,2-propylene cyclic carbonate
B
1-methoxy-2-propanol
C
2-methoxypropanol
| Conditions | Yield |
|---|---|
| With lithium iodide at 130℃; under 15001.5 Torr; for 8h; Reagent/catalyst; Autoclave; High pressure; | A 54.8% B n/a C n/a |
| With potassium carbonate at 100℃; for 6h; Supercritical conditions; Green chemistry; | A 35.6% B n/a C n/a |
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The CAS registry number of Methoxy propanol is 107-98-2. The IUPAC name is 1-methoxypropan-2-ol. In addition, the molecular formula is C4H10O2. What's more, it is a kind of colourless liquid and incompatible with strong oxidizing agents, acid chlorides, acid anhydrides, water. It is mainly used as a solvent, dispersant and diluent. Besides, it is also used as antifreeze agent for the fuel, extraction solvent.
Physical properties about this chemical are: (1)ACD/LogP: -0.45; (2)ACD/LogD (pH 5.5): -0.45; (3)ACD/LogD (pH 7.4): -0.45; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.56; (7)ACD/KOC (pH 7.4): 13.56; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.397; (13)Molar Refractivity: 23.81 cm3; (14)Molar Volume: 98.8 cm3; (15)Polarizability: 9.44 ×10-24cm3; (16)Surface Tension: 26.9 dyne/cm; (17)Density: 0.912 g/cm3; (18)Flash Point: 33.9 °C; (19)Enthalpy of Vaporization: 41.58 kJ/mol; (20)Boiling Point: 118.5 °C at 760 mmHg; (21)Vapour Pressure: 8.15 mmHg at 25°C.
Preparation of Methoxy propanol: it can be prepared by methyloxirane and methanol. This reaction will need reagent NaOCH3. The yield is about 78%.
Uses of Methoxy propanol: it can react with oxirane to get 4-methyl-2,5-dioxaheptan-7-ol. This reaction will need reagent BF3*Et2O. The yield is about 53%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. During using it, you should avoid contact with skin and eyes. 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: OC(C)COC
(2)InChI: InChI=1/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3
(3)InChIKey: ARXJGSRGQADJSQ-UHFFFAOYAJ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 2gm/kg (2000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 569, 1972. |
| dog | LD50 | oral | 5gm/kg (5000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 569, 1972. | |
| guinea pig | LCLo | inhalation | 15000ppm/7H (15000ppm) | BEHAVIORAL: SLEEP | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 509, 1954. |
| human | TCLo | inhalation | 3000ppm (3000ppm) | SENSE ORGANS AND SPECIAL SENSES: TUMORS: OLFACTION BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: NAUSEA OR VOMITING | Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 105, 1974. |
| mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 110, 1952. | |
| mouse | LD50 | intravenous | 5300mg/kg (5300mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 569, 1972. |
| mouse | LD50 | oral | 11700mg/kg (11700mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 569, 1972. |
| rabbit | LCLo | inhalation | 15000ppm/7H (15000ppm) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 509, 1954. | |
| rabbit | LD50 | intravenous | 1200mg/kg (1200mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 569, 1972. | |
| rabbit | LD50 | oral | 5700mg/kg (5700mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 569, 1972. | |
| rabbit | LD50 | skin | 13gm/kg (13000mg/kg) | Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 105, 1974. | |
| rabbit | LD50 | subcutaneous | 5gm/kg (5000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 569, 1972. | |
| rat | LC50 | inhalation | 10000ppm/5H (10000ppm) | Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 105, 1974. | |
| rat | LD50 | intraperitoneal | 3720mg/kg (3720mg/kg) | "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 3977, 1982. | |
| rat | LD50 | intravenous | 4200mg/kg (4200mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 569, 1972. |
| rat | LD50 | subcutaneous | 7800mg/kg (7800mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 569, 1972. |
| rat | LDLo | oral | 3739mg/kg (3739mg/kg) | SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. OTS0520402, |
