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Structure

3-(1,3-Benzodioxol-5-yl)-1-methylpropyl acetate

CAS
68844-96-2
Catalog Number
ACM68844962
Category
Other Products
Molecular Weight
236.263740 [g/mol]
Molecular Formula
C13H16O4

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Specification

Synonyms
NSC405387, EINECS 272-444-5, CID101140, 3-(1,3-Benzodioxol-5-yl)-1-methylpropyl acetate, alpha-Methyl-1,3-benzodioxole-5-propanol, acetate, .alpha.-Methyl-1,3-benzodioxole-5-propanol, acetate, 1,3-Benzodioxole-5-propanol, alpha-methyl-, acetate, 1,3-Benzodioxole-5-propanol, .alpha.-methyl-, acetate, 1,3-Benzodioxole-5-propanol, alpha-methyl-, 5-acetate, 68844-96-2
IUPAC Name
4-(1,3-benzodioxol-5-yl)butan-2-yl acetate
Canonical SMILES
CC(CCC1=CC2=C(C=C1)OCO2)OC(=O)C
InChI Key
WPDTWMWIRBCOSB-UHFFFAOYSA-N
Boiling Point
337.1ºC at 760 mmHg
Flash Point
147.5ºC
Density
1.162g/cm³
EC Number
272-444-5
Exact Mass
236.10500
H-Bond Acceptor
4
H-Bond Donor
0
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