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166561

Sigma-Aldrich

3-Chloropropyl acetate

98%

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About This Item

Linear Formula:
CH3CO2(CH2)3Cl
CAS Number:
628-09-1
Molecular Weight:
136.58
MDL number:
MFCD00001000
UNSPSC Code:
12352100
PubChem Substance ID:
24850169
NACRES:
NA.22

Quality Level

200

assay

98%

form

liquid

refractive index

n20/D 1.429 (lit.)

bp

80-81 °C/30 mmHg (lit.)

density

1.111 g/mL at 25 °C (lit.)

functional group

chloro
ester

SMILES string

CC(=O)OCCCCl

InChI

1S/C5H9ClO2/c1-5(7)8-4-2-3-6/h2-4H2,1H3

InChI key

KPOHQIPNNIMWRL-UHFFFAOYSA-N

Related Categories

General description

3-Chloropropyl acetate on reaction with strong base yields trimethylene oxide.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

154.4 °F - closed cup

flash_point_c

68 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ8410
STBH4596
STBD4847V
STBB7582V
S37895V

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Mechanism of Trimethylene Oxide Formation from 3-Chloropropyl Acetate.
Dittmer DC, et al.
Journal of the American Chemical Society, 79(16), 4431-4435 (1957)

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