1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester
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1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester
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CAS No:
93952-13-7
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Formula:
C24H34D4O4
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Chemical Name:
1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester
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Synonyms:
1,2-Benzene-3,4,5,6-d4-dicarboxylic acid,dioctyl ester
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CAS No:
1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester Basic Attributes
394.58
394.30200
DTXSID30583593
Characteristics
52.60000
6.72120
0.991 g/mL at 25ºC
−50 °C(lit.)
384 °C(lit.)
405 °F
n20/D 1.486(lit.)
Refrigerator
1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester Use and Manufacturing
A labelled phthalate ester used as plasticizers and additives. Used in toxiciology studies as well as risk assessment studies of food contamination that occurs via migration of phthalates into foodstuffs from food-contact materials (FCM).
Computed Properties
Molecular Weight:394.6
XLogP3:9.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:18
Exact Mass:394.30211667
Monoisotopic Mass:394.30211667
Topological Polar Surface Area:52.6
Heavy Atom Count:28
Complexity:369
Isotope Atom Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester
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