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53011-73-7

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Basic Information
CAS No.: 53011-73-7
Name: 1,4-Ipomeadiol
Molecular Structure:
Molecular Structure of 53011-73-7 (1,4-Ipomeadiol)
Formula: C9H14 O3
Molecular Weight: 170.23
Synonyms: 1,4-Ipomeadiol
Density: 1.132g/cm3
Boiling Point: 311.8°Cat760mmHg
Flash Point: 142.4°C
Safety: Poison by ingestion, intravenous and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.
PSA: 53.60000
LogP: 0.95390
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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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    1,4-IPOMEADIOLAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

Product Name: 1,4-Ipomeadiol 
CAS Registry Number: 53011-73-7 
Synonyms: 1,4-Ipomeadiol ; 1-(3-Furanyl)-2,4-pentanediol 
Systematic Name: 1-(3-Furanyl)-1,4-pentanediol ; 2,4-Pentanediol, 1-(3-furanyl)- 
IUPAC Name: 1-furan-3-ylpentane-2,4-diol 
Molecular Weight: 170.20566 [g/mol]
Molecular Formula: C9H14O3
XLogP3-AA: 0.7
H-Bond Donor: 2
H-Bond Acceptor: 3 
Surface Tension: 43.2 dyne/cm
Density: 1.132 g/cm3
Flash Point: 142.4 °C
Enthalpy of Vaporization: 58.36 kJ/mol
Boiling Point: 311.8 °C at 760 mmHg
Vapour Pressure: 0.000236 mmHg at 25°C 
Following is the molecular structure of 1,4-Ipomeadiol (CAS NO.53011-73-7 ) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 67mg/kg (67mg/kg) VASCULAR: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: PLEURAL EFFUSION		 Biochimica et Biophysica Acta. Vol. 337, Pg. 184, 1974.
mouse LD50 intravenous 68mg/kg (68mg/kg) VASCULAR: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: PLEURAL EFFUSION		 Biochimica et Biophysica Acta. Vol. 337, Pg. 184, 1974.
mouse LD50 oral 104mg/kg (104mg/kg) VASCULAR: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: PLEURAL EFFUSION		 Biochimica et Biophysica Acta. Vol. 337, Pg. 184, 1974.

 

Safety Profile

Poison by ingestion, intravenous and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.

Specification

Descriptors computed from structure, you can know some information about 1,4-Ipomeadiol (CAS NO.53011-73-7 ) :
Canonical SMILES: CC(CC(CC1=COC=C1)O)O
InChI: InChI=1S/C9H14O3/c1-7(10)4-9(11)5-8-2-3-12-6-8/h2-3,6-7,9-11H,4-5H2,1H3
InChIKey: VTUSNBRLKKKEAC-UHFFFAOYSA-N
Exact Mass: 170.094294
MonoIsotopic Mass: 170.094294
Topological Polar Surface Area: 53.6
Heavy Atom Count: 12