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| CAS No.: | 1589-49-7 |
|---|---|
| Name: | 3-Methoxy-1-propanol |
| Molecular Structure: | |
|
|
|
| Formula: | C4H10O2 |
| Molecular Weight: | 90.1222 |
| Synonyms: | 1-Methoxy-3-hydroxypropane;3-(Methyloxy)propan-1-ol;3-Methoxypropanol;Trimethyleneglycol monomethyl ether;b-Propylene glycol monomethyl ether; |
| EINECS: | 433-230-9 |
| Density: | 0.915 g/cm3 |
| Melting Point: | -96.7ºC |
| Boiling Point: | 158.1 °C at 760 mmHg |
| Flash Point: | 52.8 °C |
| Solubility: | Completely miscible in water |
| Appearance: | Colorless liquid |
| Hazard Symbols: |
 Xi, F
|
| Risk Codes: | 10-38 |
| Safety: | 16-37 |
| Transport Information: | UN 1987 3/PG 3 |
| PSA: | 29.46000 |
| LogP: | 0.01520 |
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| Conditions | Yield |
|---|---|
| Stage #1: methylallylether With diborane In dimethyl sulfoxide Inert atmosphere; Stage #2: With dihydrogen peroxide; sodium hydroxide In dimethyl sulfoxide Reagent/catalyst; Solvent; | 91.2% |
| Conditions | Yield |
|---|---|
| With mercury(II) oxide In dichloromethane at 20℃; for 28h; | 72% |
| With sodium In octane | |
| With potassium carbonate Multistep reaction; |
| Conditions | Yield |
|---|---|
| With diisobutylaluminium hydride In benzene for 1h; Heating; further reagents: triethylaluminum, triisobutylaluminum with Pd(acac)2; | 65% |
| With lithium aluminium tetrahydride; boron trichloride 1.) CH2Cl2, 0.2 h, 2.) Et2O, 30 min; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| Stage #1: methyl 3-methoxypropionate With lithium aluminium tetrahydride In diethyl ether for 4.5h; Inert atmosphere; Stage #2: With water; sodium hydroxide In diethyl ether at 0 - 20℃; | 60% |
| Stage #1: methyl 3-methoxypropionate With lithium aluminium tetrahydride In diethyl ether for 4.5h; Stage #2: With sodium hydroxide; water In diethyl ether at 0℃; | 60% |
| With hydrogen In methanol at 170℃; under 150015 Torr; | 51% |
| Conditions | Yield |
|---|---|
| With sodium In methanol 1.) 20 deg. C, 1 h, 2.) reflux, 1 h; | 20% |
| Conditions | Yield |
|---|---|
| With sulfuric acid |
| Conditions | Yield |
|---|---|
| With methanol at 175℃; |
| Conditions | Yield |
|---|---|
| With methanol; pumice stone; nickel at 45 - 100℃; Hydrogenation; | |
| With sodium metaborate In water | |
| With hydrogen; nickel at 80℃; under 37503.8 Torr; for 3h; | |
| With hydrogen; Ru/C under 37503.8 Torr; for 3h; |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; hydroquinone beim Ansaeuern mit Essigsaeure und anschliessenden Hydrieren an Raney-Nickel bei 93grad/70 at; |
| Conditions | Yield |
|---|---|
| (i) EtOH, H2SO4, (ii) LiAlH4; Multistep reaction; |
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Specification
The 3-Methoxy-1-propanol, with the CAS registry number 1589-49-7, is also known as 1-Propanol, 3-methoxy-. It belongs to the product categories of Pharmaceutical Intermediates; Alcohols; C2 to C6; Oxygen Compounds. This chemical's molecular formula is C4H10O2 and molecular weight is 90.12. Its IUPAC name is called 3-methoxypropan-1-ol. What's more, this chemical can be used as solvent and also used as coupling and dispersant.
Physical properties of 3-Methoxy-1-propanol: (1)ACD/LogP: -0.37; (2)ACD/LogD (pH 5.5): -0.37; (3)ACD/LogD (pH 7.4): -0.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.98; (7)ACD/KOC (pH 7.4): 14.98; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.399; (12)Molar Refractivity: 23.86 cm3; (13)Molar Volume: 98.4 cm3; (14)Surface Tension: 28.6 dyne/cm; (15)Density: 0.915 g/cm3; (16)Flash Point: 52.8 °C; (17)Enthalpy of Vaporization: 45.97 kJ/mol; (18)Boiling Point: 158.1 °C at 760 mmHg; (19)Vapour Pressure: 0.952 mmHg at 25°C.
Preparation of 3-Methoxy-1-propanol: this chemical can be prepared by [1,3]dioxane. This reaction will need reagent diisobutylaluminum hydride and solvent benzene. The reaction time is 1 hour. The yield is about 65%.
![3-Methoxy-1-propanol can be prepared by [1,3]dioxane](/UserFilesUpload/Preparation of 3-Methoxy-1-propanol.png)
Uses of 3-Methoxy-1-propanol: it can be used to produce 1-bromo-3-methoxy-propane at temperature of 60 °C. This reaction will need reagent PBr3.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is highly flammable. In addition, it is irritating to skin. You should keep it away from sources of ignition - No smoking. Whenever you will contact it, please wear suitable gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COCCCO
(2)InChI: InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3
(3)InChIKey: JDFDHBSESGTDAL-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 5660uL/kg (5.66mL/kg) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
| rat | LD50 | oral | 5710mg/kg (5710mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES | Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941. |