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Home > Encyclopedia > 1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester

1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester

1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester structure

1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester 

structure
  • CAS No:

    93952-13-7

  • Formula:

    C24H34D4O4

  • Chemical Name:

    1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester

  • Synonyms:

    1,2-Benzene-3,4,5,6-d4-dicarboxylic acid,dioctyl ester

  • Categories:

    Chemical Reagents  >  Deuterated Reagents

Description

DI-N-OCTYL PHTHALATE (RING-D4) is Clear Colorless liquid

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

Safety Information

UN 3082 9 / PGIII

2

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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