Adipic anhydride

HCID 567658

Notes Reactions

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Basic information

CAS: 2035-75-8
Standard SMILES: O=C1CCCCC(=O)O1
InChIKey: JPSKCQCQZUGWNM-UHFFFAOYSA-N
Molecular formula: C6H8O3
Average molar mass: 128.13 g/mol
Monoisotopic mass: 128.04734412

Overview

2,7-Oxepanedione is a lactone.

Names & identifiers

Preferred name: Adipic anhydride
IUPAC: oxepane-2,7-dione
English name: ADIPIC ANHYDRIDE
Molecular formula: C6H8O3
Molecular weight: 128.13

Names & synonyms

Oxepane-2,7-dione2,7-Oxepanedione2035-75-8Adipic anhydrideHexanedioic anhydrideButanedicarboxylic anhydrideHexanedioic acid anhydrideDTXSID401316648RefChem:553088DTXCID101746486218-001-1EINECS 218-001-1

Show more names

Hexahydrooxepin-2,7-dioneAdipic anhydride (6CI, 7CI, 8CI)

Adipicanhydride2,7-oxepanedionMFCD015935883-propyloxetane-2,4-dioneadipic acid anhydride2,7-Oxepanedione, 9CISCHEMBL320487CHEBI:173481

Database identifiers

CAS: 2035-75-8
PubChem CID: 567658
DTXSID: DTXSID401316648
ChEBI: CHEBI:173481
UNII: U8CS8REU8L
EC Number: 218-001-1
Nikkaji: J298.653A

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 123

Experimental & physicochemical properties

Food AdditivesFLAVORING AGENT OR ADJUVANT, LEAVENING AGENT, PH CONTROL AGENT -> FDA Substance added to food

Melting Point22 °C

Physical DescriptionSolid

Physicochemical properties

Melting point: 60 · 60-64 °C
Boiling point: 98 · 98~100℃/0.1mm
Density: 1.183 · 1.183±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: liquid
color: Colourless
InChI: InChI=1S/C6H8O3/c7-5-3-1-2-4-6(8)9-5/h1-4H2
InChIKey: JPSKCQCQZUGWNM-UHFFFAOYSA-N
SMILES: O1C(=O)CCCCC1=O
LogP: 0.689 · 0.689 (est)
Substances Added to Food (formerly EAFUS): ADIPIC ANHYDRIDE
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 2,7-Oxepanedione

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Applications · 2 items

UsesAdipic Anhydride is an esterifier for food starch in combination with acetic anhydride.

General DescriptionThe usual form of the anhydride produced by dehydrating adipic acid is the linear, polymeric form Adipic anhydride. Distillation of the polymeric anhydride is said to produce the monomeric cyclic form, which is very unstable and reverts readily to the linear, polymeric anhydride.