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64011-44-5

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Basic Information
CAS No.: 64011-44-5
Name: 4-Amino-4-methoxy-2-pentanol
Molecular Structure:
Molecular Structure of 64011-44-5 (4-Amino-4-methoxy-2-pentanol)
Formula: C6H15 N O2
Molecular Weight: 133.22
Synonyms: 4-Methoxy-4-amino-2-pentanol;2-Pentanol,4-amino-4-methoxy;
Density: 0.982g/cm3
Boiling Point: 224.3°C at 760 mmHg
Flash Point: 89.5°C
Safety: Moderately toxic by ingestion and skin contact. Mildly toxic by inhalation. A severe skin irritant. When heated to decomposition it emits toxic fumes of NOx.
PSA: 55.48000
LogP: 0.77890
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Chemistry

Product Name: 4-Methoxy-4-amino-2-pentanol (CAS NO.64011-44-5)


Molecular Formula: C6H15NO2
Molecular Weight: 133.22g/mol
Mol File: 64011-44-5.mol
Boiling point: 224.3 °C at 760 mmHg
Flash Point: 89.5 °C
Density: 0.982 g/cm3
Surface Tension: 34.6 dyne/cm
Enthalpy of Vaporization: 53.58 kJ/mol
Vapour Pressure: 0.0184 mmHg at 25°C
XLogP3-AA: -0.4
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of 4-Methoxy-4-amino-2-pentanol (CAS NO.64011-44-5):
  IUPAC Name: 4-Amino-4-methoxypentan-2-ol
  Canonical SMILES: CC(CC(C)(N)OC)O
  InChI: InChI=1S/C6H15NO2/c1-5(8)4-6(2,7)9-3/h5,8H,4,7H2,1-3H3 
  InChIKey: BJTHUIGHIKEJLS-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 500 mg SEV

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
2.    

orl-rat LDLo:750 mg/kg

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
3.    

orl-mus LD50:1290 mg/kg

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
4.    

ihl-mus LCLo:835 ppm/8H

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
5.    

skn-rbt LDLo:1380 mg/kg

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)

Safety Profile

Moderately toxic by ingestion and skin contact. Mildly toxic by inhalation. A severe skin irritant. When heated to decomposition it emits toxic fumes of NOx.

Specification

 4-Methoxy-4-amino-2-pentanol , its CAS NO. is 64011-44-5, the synonyms are 2-Pentanol, 4-amino-4-methoxy- ; CID115660 .