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Home > Encyclopedia > 1,2-Cyclohexanedicarboxylic acid

1,2-Cyclohexanedicarboxylic acid

1,2-Cyclohexanedicarboxylic acid structure

1,2-Cyclohexanedicarboxylic acid 

structure
  • CAS No:

    1687-30-5

  • Formula:

    C8H12O4

  • Chemical Name:

    1,2-Cyclohexanedicarboxylic acid

  • Synonyms:

    1,2-Cyclohexanedicarboxylic acid;Hexahydrophthalic acid;1,2-Benzenedicarboxylic acid,hexahydro-;NSC 239117

1,2-Cyclohexanedicarboxylic acid Basic Attributes

172.18

172.18

216-872-2

156209|239117|31593

2917209090

Characteristics

74.6

0.96200

1.314±0.06 g/cm3(Predicted)

219-220 °C

384.1±35.0 °C(Predicted)

200.3ºC

1.521

5.78E-07mmHg at 25°C

Safety Information

P264, P270, P301+P312, P330, P501

H302

|Danger|H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P285, P301+P312, P302+P352, P304+P341, P305+P351+P338, P310, P321, P330, P333+P313, P342+P311, P363, and P501|Aggregated GHS information provided by 8 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|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 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

hexahydrophthalic acid|1,2-cyclohexanedicarboxylic acid

1,2-Cyclohexanedicarboxylic acid Use and Manufacturing

1,2-Cyclohexanedicarboxylic acid: ACTIVE

Computed Properties

Molecular Weight:172.18
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:172.07355886
Monoisotopic Mass:172.07355886
Topological Polar Surface Area:74.6
Heavy Atom Count:12
Complexity:177
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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