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4638-03-3

Basic Information
CAS No.: 4638-03-3
Name: 1-ALLYLOXY-3-CHLORO-2-PROPANOL
Article Data: 31
Molecular Structure:
Molecular Structure of 4638-03-3 (1-ALLYLOXY-3-CHLORO-2-PROPANOL)
Formula: C6H11 Cl O2
Molecular Weight: 150.605
Synonyms: 2-Propanol,1-(allyloxy)-3-chloro- (6CI,7CI,8CI); 2-Propanol, 1-chloro-3-(2-propenyloxy)-(9CI); 1-(Allyloxy)-3-chloro-2-hydroxypropane;1-(Allyloxy)-3-chloro-2-propanol; 3-(Allyloxy)-1-chloro-2-propanol;3-(Allyloxy)-2-hydroxypropyl chloride; Allyl 3-chloro-2-hydroxypropyl ether;NSC 6975
Density: 1.088g/cm3
Boiling Point: 228.1°C at 760 mmHg
Flash Point: 91.8°C
Safety: Poison by ingestion. A moderate skin and severe eye irritant. See also ETHERS and ALLYL COMPOUNDS. When heated to decomposition it emits toxic fumes of Cl.
PSA: 29.46000
LogP: 0.78870
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Chemistry

The Molecular Structure of Allyl 3-chloro-2-hydroxypropyl ether (CAS NO.4638-03-3):
Molecular Formula: C6H11ClO2 
Molecular Weight: 150.603340 g/mol
Classification: Skin / Eye Irritant
Nominal Mass: 150 Da
Average Mass: 150.6033 Da
Monoisotopic Mass: 150.044757 Da 
IUPAC: 1-chloro-3-prop-2-enoxypropan-2-ol
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 0.8
ACD/LogD (pH 7.4): 0.8
ACD/BCF (pH 5.5): 2.38
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 5.5): 64.65
ACD/KOC (pH 7.4): 64.65 
Polar Surface Area: 18.46Å2
Index of Refraction: 1.456
Molar Refractivity: 37.65 cm3
Molar Volume: 138.2 cm3
Surface Tension: 33.2 dyne/cm
Density: 1.088 g/cm3
Flash Point: 91.8 °C
Enthalpy of Vaporization: 54.03 kJ/mol
Boiling Point: 228.1 °C at 760 mmHg
Vapour Pressure: 0.0145 mmHg at 25°C

Toxicity Data With Reference

1.    

skn-rbt 20 mg/24H MOD

    85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,521.
2.    

eye-rbt 750 µg/24H SEV

    28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,79.
3.    

skn-rbt 20 mg/24H MOD

    85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,521.
4.    

eye-rbt 750 µg/24H SEV

    85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,521.
5.    

orl-mus LD50:240 mg/kg

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 Unpublished Report.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

Safety Profile

Poison by ingestion. A moderate skin and severe eye irritant. See also ETHERS and ALLYL COMPOUNDS. When heated to decomposition it emits toxic fumes of Cl.

Specification

 Allyl 3-chloro-2-hydroxypropyl ether (CAS NO.4638-03-3) is also called as 1-Allyloxy-3-chloro-2-propanol ; 1-Chloro-3-(2'-propenoxy)-2-propanol ; 2-Propanol, 1-propenyloxy-3-chloro- ; 3-01-00-02153 (Beilstein Handbook Reference) ; Allyl-chlorhydrinether ; BRN 1746474 ; Ether, allyl (3-chloro-2-hydroxypropyl) ; NSC 6975 ; 2-Propanol, 1-(allyloxy)-3-chloro- ; 2-Propanol, 1-chloro-3-(2-propen-1-yloxy)- ; 2-Propanol, 1-chloro-3-(2-propenyloxy)- .