2-Furanpropionic acid

HCID 70286CAS 935-13-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CCc1ccco1
InChIKey
XLTJXJJMUFDQEZ-UHFFFAOYSA-N
Molecular formula
C7H8O3
Average molar mass
140.14 g/mol
Monoisotopic mass
140.04734412

Names & identifiers

Preferred name
2-Furanpropionic acid
IUPAC
3-(furan-2-yl)propanoic acid
English name
3-(2-FURYL)PROPANOIC ACID
Molecular formula
C7H8O3
Molecular weight
140.14

Names & synonyms

935-13-73-(2-Furyl)propanoic acid3-(furan-2-yl)propanoic acid3-(2-Furyl)propionic acid2-Furanpropanoic acid2-Furanpropionic acidUNII-971V0W009HDTXSID70239446EINECS 213-298-4971V0W009H3-FURAN-2-YLPROPIONIC ACID.BETA.-(2-FURYL)PROPIONIC ACID
Show more names
AKOS AU36-M219TIMTEC-BB SBB005449furan-2-propionic acid3-(Furyl)propanoic acid3-Fur-2-ylpropanoic acid3-(2-furyl)propinoic acid
RefChem:87227DTXCID90161937BETA-(2-FURYL)PROPIONIC ACID213-298-4XLTJXJJMUFDQEZ-UHFFFAOYSA-NMFCD000053463-(2-furyl) propionic acidAKOS000206873

Database identifiers

CAS
935-13-7
PubChem CID
70286
DTXSID
DTXSID70239446
UNII
971V0W009H
EC Number
213-298-4
Nikkaji
J298.526H

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
50.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
10

Physicochemical properties

Melting point
56 · 56-59 °C
Boiling point
229 · 229
Density
1.2127 · 1.2127 (rough estimate)
refractive index
1.4638 · 1.4638 (estimate)
storage temp.
-20 °C · Sealed in dry,Store in freezer, under -20°C
pka
4.51 · 4.51±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 45 reports by companies from 5 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
hs_code
29321900
risk_code
36/37/38-41-37/38
Signal word
Danger
Symbol(GHS)
GHS05,GHS07

Chemistry & industry

Applications · 2 items

Description3-(2-Furyl)propionic acid is a metabolite of furfural that can be found in the urine at physiological levels.

Uses3-(2-Furyl)propionic acid can be used as an indicator for monitoring membrane integrity, as it will react with hippuric acid to form 3-(3-hydroxypropyl)furan-2-carboxylic acid, which can then be quantified using high performance liquid chromatography.

Upstream & downstream products

Suppliers50 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

14 records
New reaction record

Linked notes

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