Methyl tetrahydrofuran-2-carboxylate

HCID 169922

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 37443-42-8
Standard SMILES: COC(=O)C1CCCO1
InChIKey: IXHZGHPQQTXOKV-UHFFFAOYSA-N
Molecular formula: C6H10O3
Average molar mass: 130.14 g/mol
Monoisotopic mass: 130.06299418

Overview

structure in first source

Names & identifiers

Preferred name: Methyl tetrahydrofuran-2-carboxylate
IUPAC: methyl oxolane-2-carboxylate
English name: Methyl 2-tetrahydrofuroate
Molecular formula: C6H10O3
Molecular weight: 130.14

Names & synonyms

Methyl Tetrahydrofuran-2-carboxylateRefChem:15803237443-42-8Methyl 2-tetrahydrofuroatemethyl tetrahydro-2-furancarboxylateMethyl Oxolane-2-carboxylate2-Furancarboxylic acid, tetrahydro-, methyl esterMFCD00154541Tetrahydrofuran-2-carboxylic Acid Methyl EsterTetrahydro-2-furoic acid methyl ester77258003UQ2-Tetrahydrofuroic Acid Methyl Ester

Show more names

METHFAT2-tetrahydrofuroateMethyl 2-tetrahydrofMETHYLTETRAHYDROFUROATE1-methyl-2-pyridinimineMETHYL TETRAHYDRO-2-FUROATETetra Hydro-2-Methyl FuroateMethyl 2-tetrahydrofuranoate

MethylTetrahydrofuran-2-carboxylatemethyl tetrahydrofuratemethyl tetrahydrofuroateEC 420-670-1SCHEMBL306039SCHEMBL497872SCHEMBL1625646DTXSID40958551

Database identifiers

CAS: 37443-42-8
PubChem CID: 169922
DTXSID: DTXSID40958551
UNII: 77258003UQ
EC Number: 420-670-1
Nikkaji: J1.082.661F

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 111

Physicochemical properties

Boiling point: 180 °C · 180 °C / 680mmHg
Density: 1.11 · 1.11
vapor pressure: 1.9 hPa · 1.9hPa at 25℃
refractive index: 1.436 to · 1.4360 to 1.4400
Flash point: 64 °C · 64°C(lit.)
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Brown
LogP: 0.04 at · 0.04 at 19℃ and pH5.5-7.43
Surface tension: 72.4 mN/m · 72.4mN/m at 1g/L and 16.5℃
CAS DataBase Reference: 37443 · 37443-42-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 77258003 UQ · 77258003UQ
EPA Substance Registry System: 2 · 2-Furancarboxylic acid, tetrahydro-, methyl ester (37443-42-8)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H318
Precautionary statements: 280 · P280-P305+P351+P338-P362+P364
Hazard Codes: Xi
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
RIDADR: 3272 · UN3272
HazardClass: 3 · 3
HS Code: 2932190090 · 2932190090
REACH Registrations: Active
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Hazard information

Regulatory InformationStatus: No longer Valid Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3323

Hazard Classes and Categories · 3 items

Eye Dam. 1 (100%)

Eye damage - category 1

Eye Dam. 1

Safety data

ridadr: UN3272
hs_code: 2932190090
risk_code: 41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 26-39
hazard_class: 3
Hazard statements: H302+H312+H332-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Precautionary statements: P280-P305+P351+P338-P362+P364