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Home > Encyclopedia > 1,4-Dibutyl 2-hydroxybutanedioate

1,4-Dibutyl 2-hydroxybutanedioate

1,4-Dibutyl 2-hydroxybutanedioate structure

1,4-Dibutyl 2-hydroxybutanedioate 

structure
  • CAS No:

    6280-99-5

  • Formula:

    C12H22O5

  • Chemical Name:

    1,4-Dibutyl 2-hydroxybutanedioate

  • Synonyms:

    Butanedioic acid,2-hydroxy-,1,4-dibutyl ester;Malic acid,dibutyl ester,(±)-;Butanedioic acid,hydroxy-,dibutyl ester;Butanedioic acid,hydroxy-,dibutyl ester,(±)-;1,4-Dibutyl 2-hydroxybutanedioate;ENT-337;(±)-Dibutyl malate;NSC 261107;NSC 6194;Dibutyl malate;1587-18-4

Description

Dibutyl malate is a 3-hydroxy carboxylic acid.

1,4-Dibutyl 2-hydroxybutanedioate Basic Attributes

246.30000

246.30

228-485-6

261107|6194

Characteristics

72.83000

1.42400

1.04

2270 mg/L @ 25 °C (est)

Safety Information

36/37/38

26-36/37/39

P264, P280, P305+P351+P338, P33, P313

H319

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 22 companies from 1 notifications to the ECHA C&L Inventory.

1,4-Dibutyl 2-hydroxybutanedioate Use and Manufacturing

Butanedioic acid, 2-hydroxy-, 1,4-dibutyl ester: ACTIVE

Food additives -> Flavoring Agents

Flavoring Agents

Computed Properties

Molecular Weight:246.30
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:246.14672380
Monoisotopic Mass:246.14672380
Topological Polar Surface Area:72.8
Heavy Atom Count:17
Complexity:227
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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