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Home > Encyclopedia > 2-(1-Methylethyl)propanedioic acid

2-(1-Methylethyl)propanedioic acid

2-(1-Methylethyl)propanedioic acid structure

2-(1-Methylethyl)propanedioic acid 

structure
  • CAS No:

    601-79-6

  • Formula:

    C6H10O4

  • Chemical Name:

    2-(1-Methylethyl)propanedioic acid

  • Synonyms:

    Propanedioic acid,2-(1-methylethyl)-;Malonic acid,isopropyl-;Propanedioic acid,(1-methylethyl)-;2-(1-Methylethyl)propanedioic acid;Isopropylmalonic acid;α-Carboxyisovaleric acid;NSC 1168;NSC 120711;2-Isopropylmalonic acid;2-Propan-2-ylpropanedioic acid;2-(Propan-2-yl)propanedioic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

2-(1-Methylethyl)propanedioic acid Basic Attributes

146.14

146.14

210-008-8

2ECG2M39FN

120711|1168

DTXSID80208845

2917190090

Characteristics

74.6

0.9

1.242 g/cm3

130 °C

315.4°C at 760 mmHg

158.7ºC

Safety Information

R36/37/38

S26-S36/37/39

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H301

|Danger|H301 (88.89%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, 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.

Computed Properties

Molecular Weight:146.14
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:146.05790880
Monoisotopic Mass:146.05790880
Topological Polar Surface Area:74.6
Heavy Atom Count:10
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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