5-Ethyl-2-furaldehyde

HCID 89989CAS 23074-10-4

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Basic information

Standard SMILES: CCc1ccc(C=O)o1
InChIKey: XADGZBXFWQHBDB-UHFFFAOYSA-N
Molecular formula: C7H8O2
Average molar mass: 124.14 g/mol
Monoisotopic mass: 124.0524295

Overview

5-Ethyl-2-furaldehyde has been reported in Picea abies with data available.

Names & identifiers

Preferred name: 5-Ethyl-2-furaldehyde
IUPAC: 5-ethylfuran-2-carbaldehyde
English name: 5-ETHYL-2-FURALDEHYDE
Molecular formula: C7H8O2
Molecular weight: 124.14

Names & synonyms

5-Ethyl-2-furaldehyde5-ethylfuran-2-carbaldehyde23074-10-42-Furancarboxaldehyde, 5-ethyl-5-EthylfurfuralEINECS 245-411-8DTXSID80177643RefChem:102546DTXCID40100134245-411-8InChI=1/C7H8O2/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1HXADGZBXFWQHBDB-UHFFFAOYSA-N

Show more names

5-ETHYL-2-FURALDEHYDASISCHEM D292635-Ethyl-2-furfuralTIMTEC-BB SBB010056Furfural Impurity 20Furfural Impurity 34ASINEX-REAG BAS 127197055-Ethyl-2-furaldehyde,98%

5-Ethyl-furan-2-carbaldehydeMFCD000306055-ethylfuran-2-carboxaldehyde5-ethylfurfuraldehydeYYH2MYA6S72-Furaldehyde, 5-ethyl-5-ethyl-2-furancarboxaldehydeSCHEMBL157526

Database identifiers

CAS: 23074-10-4
PubChem CID: 89989
DTXSID: DTXSID80177643
UNII: YYH2MYA6S7
EC Number: 245-411-8
Nikkaji: J318.396C

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 30.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 101

Physicochemical properties

Boiling point: 79 · 79-81 °C/12 mmHg (lit.)
Density: 1.055 g/mL · 1.055 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.522(lit.)
Flash point: 150 °F · 150 °F
storage temp.: 2 · Sealed in dry,2-8°C
form: liquid
Specific Gravity: 1.055 · 1.055
Sensitive: Air Sensitive
BRN: 1982 · 1982
InChI: 1S/C7H8O2/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3
InChIKey: XADGZBXFWQHBDB-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(CC)o1
LogP: 1.179 · 1.179 (est)
CAS DataBase Reference: 23074 · 23074-10-4(CAS DataBase Reference)
FDA UNII: 2 MYA6S7 · YYH2MYA6S7
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
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
Hazard Codes: Xi
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29321900 · 29321900
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.