Methylsuccinic anhydride

HCID 20051
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Basic information

CAS
4100-80-5
Standard SMILES
CC1CC(=O)OC1=O
InChIKey
DFATXMYLKPCSCX-UHFFFAOYSA-N
Molecular formula
C5H6O3
Average molar mass
114.1 g/mol
Monoisotopic mass
114.03169405

Overview

3-methylsuccinic anhydride is a tetrahydrofurandione that is succinic anhydride substituted by a methyl group at position 3. It has a role as a metabolite. It is a cyclic dicarboxylic anhydride and a tetrahydrofurandione. It is functionally related to a succinic anhydride.

Names & identifiers

Preferred name
Methylsuccinic anhydride
IUPAC
3-methyloxolane-2,5-dione
English name
Methylsuccinic anhydride
Molecular formula
C5H6O3
Molecular weight
114.1

Names & synonyms

Methylsuccinic anhydride3-methyloxolane-2,5-dione3-Methylsuccinic anhydride2,5-Furandione, dihydro-3-methyl-EINECS 223-870-5NSC 65437AI3-112083,4-Dihydro-3-methyl-2,5-furandioneCHEBI:87587DTXSID10871900RefChem:158319DTXCID60819514
Show more names
Nsc65437Succinic anhydrSacubitrilat impurity 32
223-870-5DFATXMYLKPCSCX-UHFFFAOYSA-N4100-80-53-methyldihydrofuran-2,5-dionePyrotartaric anhydride2-Methylsuccinic anhydrideMethylsuccinicanhydrideSuccinic anhydride, methyl-

Database identifiers

CAS
4100-80-5、6973-20-2
PubChem CID
20051
DTXSID
DTXSID10871900
ChEBI
CHEBI:87587
EC Number
223-870-5
Nikkaji
J80.746J

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Melting point
33 · 33-35 °C (lit.)
Boiling point
238 · 238-240 °C (lit.)
Density
1.22 g/mL · 1.22 g/mL at 25 °C (lit.)
refractive index
1.463 · 1.4630 (estimate)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
2932190090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2,5-Furandione, dihydro-3-methyl-: ACTIVE

Applications

Uses2-Methylsuccinic Anhydride is reported to be a pollutant which occurs as partially oxidized organic component in urban aerosol.

Uses2-Methylsuccinic Anhydride is reported to be a pollutant which occurs as partially oxidized organic component in urban aerosol.

Suppliers100 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Additional notes

DefinitionChEBI: A tetrahydrofurandione that is succinic anhydride substituted by a methyl group at position 3.

Related reactions

24 records
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Compound notes

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