2-Furyl pentyl ketone

HCID 61738
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
14360-50-0
Standard SMILES
CCCCCC(=O)c1ccco1
InChIKey
YUAYWSBSIJVIBS-UHFFFAOYSA-N
Molecular formula
C10H14O2
Average molar mass
166.22 g/mol
Monoisotopic mass
166.09937969

Overview

Pentyl 2-furyl ketone is an aromatic ketone.

Names & identifiers

Preferred name
2-Furyl pentyl ketone
IUPAC
1-(furan-2-yl)hexan-1-one
English name
2-Hexanoylfuran
Molecular formula
C10H14O2
Molecular weight
166.22

Names & synonyms

2-Hexanoylfuran14360-50-01-(furan-2-yl)hexan-1-one2-Furyl pentyl ketonePentyl 2-furyl ketone1-Hexanone, 1-(2-furanyl)-1-(2-Furyl)-1-hexanone1-(2-Furyl)hexanone1-(2-Furanyl)-1-hexanoneFEMA No. 34181-Hexanone, 1-(2-furyl)-EINECS 238-333-0
Show more names
FEMA 34182-HexanoylfuraneFuran, 2-hexanoylTIMTEC-BB SBB008342Amyl 2-furyl ketone2-HEXANOYLFURAN 98%N-AMYL 2-FURYL KETONEPENTYL-2-FURYL KETONE
NSC 27361NSC-27361AI3-2655653176V524SDTXSID1065760PENTYL 2-FURYL KETONE [FHFI]RefChem:472796DTXCID6034681

Database identifiers

CAS
14360-50-0
PubChem CID
61738
DTXSID
DTXSID1065760
ChEBI
CHEBI:195780
UNII
53176V524S
EC Number
238-333-0
Nikkaji
J47.696J

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
30.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
12

Experimental & physicochemical properties

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.992-0.998
Flavoring AgentsEU Flavoring substances
Solubility · 2 items

Slightly soluble in water

Soluble (in ethanol)

Boiling Point65-67 °C (0.5 mm Hg)
Refractive Index1.490-1.496

Physicochemical properties

Boiling point
125 · 125-127°C 15mm
Density
0.994 · 0.994
refractive index
1.489 · 1.4890
FEMA
3418 · 3418 | PENTYL 2-FURYL KETONE
FLAVIS Number
13.07 · 13.070 | 2-Hexanoylfuran
Flash point
125 · 125-127°C/15mm

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 77.8% (91 of 117) of all reports.

Warning

H315 (22.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 117 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 1-Hexanone, 1-(2-furanyl)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Hexanone, 1-(2-furanyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (22.2%)

Safety data

wgk
WGK 3
tsca
TSCA listed
hs_code
2932190090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

Use Classification · 3 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information1-Hexanone, 1-(2-furanyl)-: INACTIVE

Applications

Uses2-Hexanoylfuran is used as a food additives

Upstream & downstream products

Suppliers37 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Related reactions

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Compound notes

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