3-(2-Furyl)acrolein

HCID 12174CAS 39511-08-5

Basic information

Standard SMILES
O=CC=Cc1ccco1
InChIKey
VZIRCHXYMBFNFD-UHFFFAOYSA-N
Molecular formula
C7H6O2
Average molar mass
122.12 g/mol
Monoisotopic mass
122.03677943

Names & identifiers

Preferred name
3-(2-Furyl)acrolein
IUPAC
3-(furan-2-yl)prop-2-enal
English name
3-(2-FURYL)ACROLEIN
Molecular formula
C7H6O2
Molecular weight
122.12

Names & synonyms

3-(2-Furyl)acrylaldehydeDTXSID20253493-(2-Furyl)-2-propenalRefChem:1066533DTXCID905349628-201-42-Propenal, 3-(2-furanyl)-3-(2-Furyl)acrolein623-30-3Furyl acrolein3-(2-Furanyl)-2-propenalFurfuryliden-acetaldehyd
Show more names
FEMA 2494(E)-3-(furan-2-yl)acrylaldehydeAT-511022-FURYL ACROLEINFURAN-2-ACROLEINAKOS BBS-00003241B-(2-FURYL)ACROLEINTIMTEC-BB SBB004286
3-(2-furyl)-acrolein3-(2-furyl)prop-2-enalSCHEMBL560500orb3021397SCHEMBL1485961AKOS025243212SB60942NCI60_001734

Database identifiers

CAS
39511-08-5、623-30-3
PubChem CID
12174
DTXSID
DTXSID2025349
EC Number
210-785-3、628-201-4

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
30.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
9

Experimental & physicochemical properties

Solubility · 3 items

Insoluble (<1 mg/ml at 68.0 °F) (NTP, 1992)

Insoluble in water

Soluble (in ethanol)

Boiling Point275 °F at 14 mmHg (NTP, 1992)
Melting Point129 °F (NTP, 1992)
Physical Description · 2 items

Beta-(2-furyl)acrolein is a light brown powder. Cinnamon odor. (NTP, 1992)

White or yellow needles; Cooked spicy-herb aroma

Physicochemical properties

Melting point
49 · 49-55 °C(lit.)
Boiling point
143 °C37 · 143 °C37 mm Hg(lit.)
Density
1.1483 · 1.1483 (rough estimate)
refractive index
1.5286 · 1.5286 (estimate)
Flash point
211 °F · 211 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 6.2% (88 of 1419) of reports.

Danger

H302 (93.7%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (93.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1419 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 88 of 1419 reports by companies.;There are 5 notifications provided by 1331 of 1419 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: 2-Propenal, 3-(2-furanyl)-

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

2-Propenal, 3-(2-furanyl)-: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the eyes, skin and mucous membranes.;ACUTE/CHRONIC HAZARDS: This compound is an irritant. (NTP, 1992)
Reactive GroupAldehydes;Hydrocarbons, Aliphatic Unsaturated;Conjugated Dienes
Reactivity Profile · 1 item

BETA-(2-FURYL)ACROLEIN is an aldehyde. May become involved in exothermic self-condensation or polymerization reactions that are often catalyzed by acid. May generate flammable and/or toxic gases with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.

Safety & protection

Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs. However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested. Ipecac syrup or salt water may be used in such an emergency. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Isolation and Evacuation · 1 item

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

Regulatory information

Regulatory Information · 3 items

Chemical: 2-Propenal, 3-(2-furanyl)-

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

2-Propenal, 3-(2-furanyl)-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
rtecs
LT8528500
ridadr
UN 1759 8/PG 2
risk_code
34
Signal word
Danger

Chemistry & industry

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 Information2-Propenal, 3-(2-furanyl)-: ACTIVE

Applications

Uses(E)-3-(Furan-2-yl)acrylaldehyde is a useful reagent in the synthesis of highly substituted tetrahydrofurans and tetrahydropyrans using double Michael addition strategy. A synthesis intermediate.

Upstream & downstream products

Suppliers41 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]

Additional notes

DefinitionChEBI: 3-(2-Furanyl)-2-propenal is a heteroarene.

Related reactions

3 records

Linked notes

Loading…