Methyl 5-methyl-2-furancarboxylate

HCID 137628

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Basic information

CAS: 2527-96-0
Standard SMILES: COC(=O)c1ccc(C)o1
InChIKey: XBYZJUMTKHUJIY-UHFFFAOYSA-N
Molecular formula: C7H8O3
Average molar mass: 140.14 g/mol
Monoisotopic mass: 140.04734412

Names & identifiers

Preferred name: Methyl 5-methyl-2-furancarboxylate
IUPAC: methyl 5-methylfuran-2-carboxylate
English name: METHYL 5-METHYL-2-FUROATE
Molecular formula: C7H8O3
Molecular weight: 140.14

Names & synonyms

methyl 5-methyl-2-furancarboxylateRefChem:817135methyl 5-methylfuran-2-carboxylate2527-96-0Methyl 5-methyl-2-furoateMFCD041163742-Furancarboxylic acid, 5-methyl-, methyl esterAKOS000295902SB61463Y102505-Methylfuran-2-carboxylic acid methyl esterMethyl5-methylfuran-2-carboxylate

Show more names

ASISCHEM D13386RARECHEM AL BF 0010METHYL 5-METHYL-2-FUROmethyl 5-methylfuro-2-ateMethyl 5-Methyl-2-furoate 97%5-Methyl-2-furoic acid methyl ester

Methyl 5-methylfuFT-0628682SCHEMBL423503SCHEMBL1505245DTXSID40179921Methyl 5-methyl-2-furoate, 97%ALBB-026666GEO-01875

Database identifiers

CAS: 2527-96-0
PubChem CID: 137628
DTXSID: DTXSID40179921
EC Number: 672-136-4
Nikkaji: J1.429.892D

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 39.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 133

Physicochemical properties

Boiling point: 85 °C · 85°C 12mm
Density: 1.114 · 1.114
refractive index: 1.493 · 1.493
Flash point: 255 °C · 255°C
storage temp.: Sealed in dry,Room Temperature
Appearance: Colorless to light yellow Liquid
Water Solubility: Insoluble in water.
InChI: 1S/C7H8O3/c1-5-3-4-6(10-5)7(8)9-2/h3-4H,1-2H3
InChIKey: XBYZJUMTKHUJIY-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(C)o1
LogP: 1.131 · 1.131 (est)
CAS DataBase Reference: 2527 · 2527-96-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 210 e-P280a-P370+P378a-P403+P235-P501a · P210e-P280a-P370+P378a-P403+P235-P501a
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-36/37
RIDADR: 1993 · NA 1993 / PGIII
WGK Germany: 3 · 3
HS Code: 2932190090 · 2932190090
Storage Class: 10 · 10 - Combustible liquids

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 2932190090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36-36/37
Storage Class: 10 - Combustible liquids
Hazard statements: H227
Precautionary statements: P210e-P280a-P370+P378a-P403+P235-P501a

Chemistry & industry

Applications · 1 item

UsesFurans with suitable substituent in the 2- positions may be transformed into other systems with aromatic character with methoxylation of cyclic acetals of 1,4- dicarbonyl compounds, followed by intramolecular condensations in the acid solutions.