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

HCID 95385
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Basic information

CAS
1587-18-4
Standard SMILES
CCCCOC(=O)CC(O)C(=O)OCCCC
InChIKey
PDSCSYLDRHAHOX-UHFFFAOYSA-N
Molecular formula
C12H22O5
Average molar mass
246.3 g/mol
Monoisotopic mass
246.1467238

Overview

Dibutyl malate is a 3-hydroxy carboxylic acid.

Names & identifiers

Preferred name
Butanedioic acid, 2-hydroxy-, 1,4-dibutyl ester
IUPAC
dibutyl 2-hydroxybutanedioate
English name
DIBUTYLMALATE
Molecular weight
0

Names & synonyms

Dibutyl malatedibutyl 2-hydroxybutanedioatedl-Dibutyl malateButanedioic acid, 2-hydroxy-, 1,4-dibutyl esterButanedioic acid, hydroxy-, dibutyl esterNSC 6194Dibutyl (1)-malateDibutyl (+-)-hydroxybutanedioate1,4-dibutyl 2-hydroxybutanedioateEINECS 228-485-6Malic acid, dibutyl ester, (+-)-AI3-00337
Show more names
Nsc2611072-Hydroxybutanedioic acid dibutyl ester
NSC 261107RefChem:570888Malic acid, dibutyl ester, (+-)-(8CI)6280-99-5Dibutyl 2-hydroxysuccinateDl-Malic Acid Di-N-Butyl EsterENT-337Dibutyl DL-Malate

Database identifiers

CAS
1587-18-4、2385-79-7、6280-99-5
PubChem CID
95385
DTXSID
DTXSID20862703
ChEBI
CHEBI:174276
EC Number
228-485-6
Nikkaji
J127.944K

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
17

Experimental & physicochemical properties

Flavoring AgentsEU Flavoring substances

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Butanedioic acid, hydroxy-, dibutyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

General Manufacturing InformationButanedioic acid, 2-hydroxy-, 1,4-dibutyl ester: ACTIVE

Suppliers28 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: Dibutyl malate is a 3-hydroxy carboxylic acid.

Related reactions

1 records
New reaction record

Compound notes

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