CAS 539-47-9 Furylacrylic acid (HCID 10876)

Names & identifiers

Preferred name: Furylacrylic acid
IUPAC: 3-(furan-2-yl)prop-2-enoic acid
English name: 3-(2-Furyl)acrylic acid
Molecular formula: C7H6O3
Molecular weight: 138.12

Names & synonyms

539-47-9Furylacrylic acid3-(2-Furanyl)-2-propenoic acidDTXSID9060233RefChem:921952DTXCID40415292-Propenoic acid, 3-(2-furanyl)-Furanacrylic acid3-(Furan-2-yl)acrylic acidbeta-(2-Furyl)acrylic acidNalfurafine Impurity 323-(2-furanyl)acrylic acid

Show more names

Furyl Acid3-(2-Furyl)acrAKOS AU36-M220Furacrylic aciFURACRYLIC ACIDFuryl)acrylic acAKOS BBS-00003729

3-furan-2-yl-acrylic acidSCHEMBL1251263-(furan-2-yl)-acrylic acidorb3027215SCHEMBL87637063-(2-furyl)prop-2-enoic acidZCJLOOJRNPHKAV-UHFFFAOYSA-Nbeta-(2-FURYL)-ACRYLIC ACID

Database identifiers

CAS: 539-47-9
PubChem CID: 10876
DTXSID: DTXSID9060233
EC Number: 208-718-8

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 139 · 139-141 °C (lit.)
Boiling point: 286 °C · 286 °C (lit.)
Density: 1.2667 · 1.2667 (rough estimate)
refractive index: 1.46 · 1.4600 (estimate)
Flash point: 286 °C · 286°C
storage temp.: 30 °C · Store below +30°C.
solubility: Soluble in dichloromethane and diethyl ether.
pka: 4.39 · 4.39±0.10(Predicted)
form: Solid
color: Pale Beige
Water Solubility: 2 g/L · 2g/L(20 ºC)
Merck: 14 · 14,4297
BRN: 81046 · 81046
Stability: Light Sensitive
InChI: 1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+
InChIKey: ZCJLOOJRNPHKAV-ONEGZZNKSA-N
SMILES: OC(=O)\C=C\c1ccco1
LogP: 1.204 · 1.204 (est)
CAS DataBase Reference: 539 · 539-47-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 2 U24OA3UJ · M2U24OA3UJ
NIST Chemistry Reference: 2 · 2-Propenoic acid, 3-(2-furanyl)-(539-47-9)
EPA Substance Registry System: 2 · 2-Propenoic acid, 3-(2-furanyl)- (539-47-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
RTECS: 8560000 · LT8560000
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29321900 · 29321900
Storage Class: 11 · 11 - Combustible Solids

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)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 2-Propenoic acid, 3-(2-furanyl)-

Furanacrylic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
rtecs: LT8560000
hs_code: 29321900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 22-24/25
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Propenoic acid, 3-(2-furanyl)-: ACTIVE

Applications

Uses3-(2-Furyl)acrylic acid is a reactant used in the preparation of heteroaryl-substituted bis-trifluoromethyl carbinols and trifluoroacetophenone derivatives malonyl-CoA decarboxylase (MCD) inhibitors.

Uses3-(2-Furyl)acrylic acid is derivatives used in perfumes.