3-Chloropropyl acetate

Base Information

• Chemical Name: 3-Chloropropyl acetate
• CAS No.: 628-09-1
• Molecular Formula: C5H9ClO2
• Molecular Weight: 136.578
• Hs Code.: 29153900
• DSSTox Substance ID: DTXSID80211879
• Nikkaji Number: J95.378D
• Wikidata: Q72458003
• Mol file: 628-09-1.mol

Synonyms:3-Chloropropyl acetate;628-09-1;3-Chloropropanol acetate;1-PROPANOL, 3-CHLORO-, ACETATE;3-Chlorprop-1-ylacetat;gamma-Chloropropyl acetate;acetic acid 3-chloro-propyl ester;3-Chlorprop-1-ylacetat [German];3-CHLOROPROPYLACETATE;BRN 1745110;.gamma.-Chloropropyl acetate;3-CHLORO-PROPYL ACETATE;MFCD00001000;4-02-00-00140 (Beilstein Handbook Reference);1-acetoxy-3-chloropropane;acetic acid 3-chloropropyl ester;SCHEMBL408956;3-Chloropropyl acetate, 98%;DTXSID80211879;AKOS006221245;CS-W017752;AS-17283;SY106444;LS-121879;FT-0652240;3-chloropropyl acetate;1-Acetoxy-3-chloropropane;A834008

Chemical Property of 3-Chloropropyl acetate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 1.32mmHg at 25°C
• Refractive Index: n20/D 1.429(lit.)
• Boiling Point: 172.6 °C at 760 mmHg
• Flash Point: 67.8 °C
• PSA: 26.30000
• Density: 1.084 g/cm³
• LogP: 1.17840
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, DMSO (Slightly), Hexanes (Sparingly), Methanol (Slightly)
• Water Solubility.: Soluble in water (partly).
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 136.0291072
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Chloropropyl acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCCCl
• Uses: 3-Chloropropyl acetate is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agro chemicals, dyestuff.

Technology Process of 3-Chloropropyl acetate

There total 7 articles about 3-Chloropropyl acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

→ 3-Chloropropyl acetate (628-09-1) + trisodium thiophosphate

Guidance literature:

Reference yield:

tetrahydro-2-methyl-2-furyl hydroperoxide (23277-12-5) → 5-Hydroxy-2-pentanone (1071-73-4) + Allyl acetate (591-87-7) + 3-Chloropropyl acetate (628-09-1)

Guidance literature:

With copper(II) nitrate; sodium chloride; In water; at 20 ℃; for 2h; Product distribution; Mechanism; pH 3.00;

DOI:10.1007/BF00950635

Reference yield:

potassium acetate (127-08-2) + acetic acid (64-19-7,77671-22-8) + 1.3-chlorobromopropane (109-70-6) → 1,3-diacetoxypropane (628-66-0) + 3-Chloropropyl acetate (628-09-1) + 3-bromopropyl acetate (592-33-6) + 1-chloro-3-hydroxypropane (627-30-5)

Guidance literature:

DOI:10.1021/ja01630a015

upstream raw materials:

potassium acetate

acetic acid

1.3-chlorobromopropane

2-methyl-[1,3]dioxane

Downstream raw materials:

trimethylene oxide

(3-acetoxy-propyl)-trimethyl-ammonium; chloride

4-Iodo-benzoic acid 3-acetoxy-propyl ester

3-p-nitrophenylthio-1-propyl acetate

Refernces

• 1、 Nazarov, M. N.,Kulak, L. G.,Zlot-skii, S. S.,Rakhmankulov, D. L.. "HYDROXYLATION OF 1,3-DIOXACYCLANES BY HYDROGEN PEROXIDE IN THE PRESENCE OF CARBON TETRACHLORIDE". . p. 192 - 194. Retrieved 2007/10/02.
• 2、 Il'in, Yu. V.,Plakhotnik, V. A.,Glukhovtsev, V. G.,Nikishin, G. I.. "INTERACTION OF HYDROPEROXIDES WITH Cu(II) IONS IN AQUEOUS MEDIUM". . p. 1976 - 1981. Retrieved 2007/10/02.