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Home > Encyclopedia > 5-tert-Butylisophthalic acid

5-tert-Butylisophthalic acid

5-tert-Butylisophthalic acid structure

5-tert-Butylisophthalic acid 

structure
  • CAS No:

    2359-09-3

  • Formula:

    C12H14O4

  • Chemical Name:

    5-tert-Butylisophthalic acid

  • Synonyms:

    1,3-Benzenedicarboxylic acid,5-(1,1-dimethylethyl)-;Isophthalic acid,5-tert-butyl-;5-(1,1-Dimethylethyl)-1,3-benzenedicarboxylic acid;5-tert-Butylisophthalic acid;5-tert-Butyl-1,3-benzenedicarboxylic acid;5-tert-Butyl-m-phthalic acid;339064-16-3

Description

WHITE TO VERY SLIGHTLY YELLOW FINE CRYST. POWDER

5-tert-Butylisophthalic acid Basic Attributes

222.237

222.24

219-100-2

DTXSID0062345

2917399090

Characteristics

74.60000

3.35

1.2±0.1 g/cm3

343 °C

400.0±42.0 °C at 760 mmHg

209.8±24.4 °C

1.559

Safety Information

NONH for all modes of transport

3

36/37/38

S26-S37/39

Xi: Irritant;

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-tert-Butylisophthalic acid Use and Manufacturing

1,3-Benzenedicarboxylic acid, 5-(1,1-dimethylethyl)-: ACTIVE

Computed Properties

Molecular Weight:222.24
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:222.08920892
Monoisotopic Mass:222.08920892
Topological Polar Surface Area:74.6
Heavy Atom Count:16
Complexity:268
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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