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Substance Name: Isobutoxypropanol
RN: 23436-19-3
InChIKey: MWGRRMQNSQNFID-UHFFFAOYSA-N

Molecular Formula

  • C7-H16-O2

Molecular Weight

  • 132.201
 
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Names and Synonyms

Name of Substance

  • 1-(2-Methylpropoxy)-2-propanol
  • 1-Isobutoxy-2-propanol
  • 2-Propanol, 1-(2-methylpropoxy)-
  • 2-Propanol,1-isobutoxy-,
  • Isobutoxypropanol
  • Propylene glycol monoisobutyl ether

Synonyms

  • 1-(2-Methylpropoxy)-2-propanol
  • 1-Isobutoxy-2-propanol
  • 3-01-00-02148 (Beilstein Handbook Reference)
  • BRN 1733909
  • Dowanol pib-T
  • Dowanol PiBT
  • EINECS 245-663-9
  • Propylene glycol isobutyl ether

Systematic Names

  • 1-Isobutoxypropan-2-ol
  • 2-Propanol, 1-(2-methylpropoxy)-
  • 2-Propanol, 1-isobutoxy-

Registry Numbers

CAS Registry Number

  • 23436-19-3

System Generated Number

  • 0023436193

Structure Descriptors

InChI

1S/C7H16O2/c1-6(2)4-9-5-7(3)8/h6-8H,4-5H2,1-3H3

InChIKey

MWGRRMQNSQNFID-UHFFFAOYSA-N

Smiles

C(COC[C@@H](C)O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 8gm/kg (8000mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 103, 1974.
rat LD50 oral 4290mg/kg (4290mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 103, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 165 deg C   EXP
log P (octanol-water) 0.910 (none)   EST
Water Solubility 4.87E+04 mg/L 25 EST
Vapor Pressure 1.3 mm Hg 25 EXP
Henry's Law Constant 1.30E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.98E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.