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1589-49-7

Basic Information
CAS No.: 1589-49-7
Name: 3-Methoxy-1-propanol
Article Data: 46
Molecular Structure:
Molecular Structure of 1589-49-7 (3-Methoxy-1-propanol)
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: IrritantXi,FlammableF
Risk Codes: 10-38
Safety: 16-37
Transport Information: UN 1987 3/PG 3
PSA: 29.46000
LogP: 0.01520
Synthetic route
627-40-7

methylallylether

1589-49-7

methoxypropanol

Conditions
ConditionsYield
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%
74-88-4

methyl iodide

504-63-2

trimethyleneglycol

1589-49-7

methoxypropanol

Conditions
ConditionsYield
With mercury(II) oxide In dichloromethane at 20℃; for 28h;72%
With sodium In octane
With potassium carbonate Multistep reaction;
505-22-6

1,3-dioxane

1589-49-7

methoxypropanol

Conditions
ConditionsYield
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;
3852-09-3

methyl 3-methoxypropionate

1589-49-7

methoxypropanol

Conditions
ConditionsYield
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%
67-56-1

methanol

627-18-9

1-bromo-3-propanol

1589-49-7

methoxypropanol

Conditions
ConditionsYield
With sodium In methanol 1.) 20 deg. C, 1 h, 2.) reflux, 1 h;20%
503-30-0

trimethylene oxide

67-56-1

methanol

1589-49-7

methoxypropanol

Conditions
ConditionsYield
With sulfuric acid
503-30-0

trimethylene oxide

124-41-4

sodium methylate

1589-49-7

methoxypropanol

Conditions
ConditionsYield
With methanol at 175℃;
2806-84-0

3-methoxy-1-propanal

1589-49-7

methoxypropanol

Conditions
ConditionsYield
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;
67-56-1

methanol

107-02-8

acrolein

1589-49-7

methoxypropanol

Conditions
ConditionsYield
With sodium hydroxide; hydroquinone beim Ansaeuern mit Essigsaeure und anschliessenden Hydrieren an Raney-Nickel bei 93grad/70 at;
110-67-8

3-Methoxypropionitrile

1589-49-7

methoxypropanol

Conditions
ConditionsYield
(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

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.

3-Methoxy-1-propanol can be used to produce 1-bromo-3-methoxy-propane

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.