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Basic information

  • Name:
  • 1-Propanol,3-methoxy-

  • Superlist Name:
  • 3-Methoxy-1-propanol
  • CAS No.:
  • 1589-49-7

  • Molecular Structure:
  • Formula:
  • C4H10O2
  • Molecular Weight:
  • 90.14
  • Synonyms:
  • 1-Methoxy-3-hydroxypropane;3-(Methyloxy)propan-1-ol;3-Methoxypropanol;Trimethyleneglycol monomethyl ether;b-Propylene glycol monomethyl ether;
  • Density:
  • 0.915 g/cm3
  • Boiling Point:
  • 158.1 °C at 760 mmHg
  • Flash Point:
  • 52.8 °C
  • Appearance:
  • Colorless liquid
  • Hazard Symbols:
  • IrritantXi,FlammableF
  • Risk Codes:
  • 10-38
  • Safety Description:
  • 16-37 Details
  • Transport Information:
  • UN 1987 3/PG 3

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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.

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