Basic information
- CAS
100-73-2- Standard SMILES
O=CC1CCC=CO1- InChIKey
NPWYTMFWRRIFLK-UHFFFAOYSA-N- Molecular formula
- C6H8O2
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.0524295
Overview
Acrolein dimer, stabilized appears as a colorless or yellow liquid with a pungent disagreeable odor. May be irritating to the eyes and mucous membranes; long-term exposure may result in adverse health effects. Vapors denser than air. Used to make other chemicals, plastics.
Names & identifiers
- Preferred name
- Acrolein dimer
- IUPAC
- 3,4-dihydro-2H-pyran-2-carbaldehyde
- English name
- 2-Formyl-3,4-dihydro-2H-pyran
- Molecular formula
- C6H8O2
- Molecular weight
- 112.13
Names & synonyms
Show more names
Database identifiers
- CAS
100-73-2- PubChem CID
- 60994
- DTXSID
DTXSID30274151- UNII
- 49SA3RBS5H
- EC Number
- 202-884-5
- Nikkaji
- J21.552J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 107
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Other Organic Compounds
Flammable agents - 2nd degree
Physical Description
Acrolein dimer, stabilized appears as a colorless or yellow liquid with a pungent disagreeable odor. May be irritating to the eyes and mucous membranes; long-term exposure may result in adverse health effects. Vapors denser than air. Used to make other chemicals, plastics.
Colorless or yellow liquid with a pungent unpleasant odor; [CAMEO] Clear colorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -99.9 °C · -99.9°C
- Boiling point
- 146 °C · 146 °C(lit.)
- Density
- 1.08 g/mL · 1.08 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.466(lit.)
- Flash point
- 54 °C · 54 °C
- LogP
- -0.388 · -0.388 (est)
- CAS DataBase Reference
- 100 · 100-73-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 49 SA3RBS5H · 49SA3RBS5H
- NIST Chemistry Reference
- Acrolein dimer(100-73-2)
- EPA Substance Registry System
- 2 H-Pyran-2-carboxaldehyde, · 2H-Pyran-2-carboxaldehyde, 3,4-dihydro- (100-73-2)
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H312-H315-H318-H332-H335
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P264-P261-P271-P303+P361+P353-P370+P378-P302+P352-P312-P362+P364-P332+P313-P305+P351+P338-P310-P304+P340-P403+P235-P403+P233-P405-P501
- Hazard Codes
- Xn
- Risk Statements
- 10 · 10-20/21/22-36/37/38-41
- Safety Statements
- 16 · 16-26-33-36/37/39-45
- RIDADR
- 2607 · UN 2607
- RTECS
- 6825000 · UP6825000
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2H-Pyran-2-carboxaldehyde, 3,4-dihydro-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2H-Pyran-2-carboxaldehyde, 3,4-dihydro-: HSNO Approval: HSR001240 Approved with controls
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
· May cause toxic effects if inhaled or absorbed through skin.
Hazards Summary
A mild skin irritant; Causes respiratory depression and lung changes in inhalation lethal-concentration studies of rats; Causes changes in bladder weight, changes in platelet count, and effects on other proteins in 9-day intermittent inhalation studies of rats; [RTECS] May cause eye and mucous membrane irritation; [CAMEO] May polymerize; An irritant that may cause serious eye injury; Harmful by ingestion, inhalation, and skin absorption; Inhalation of high concentrations may cause weakness, dizziness, and unconsciousness; [Sigma-Aldrich MSDS] Acrolein dimer, stabilized (UN2607) has warning of explosive polymerization; [ERG 2016]
Reactivity Profile
Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes 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.
DOT Hazard Classification
Acrolein dimer, stabilized
UN2607
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable agents - 2nd degree, Reactive agents - 1st degree
Safety & protection
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious); polymerization hazard]:
Immediate precautionary measure
Toxicology
Safety data
- tsca
- TSCA listed
- rtecs
- UP6825000
- ridadr
- UN 2607
- risk_code
- 10-20/21/22-36/37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 16-26-33-36/37/39-45
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H312-H315-H318-H332-H335
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P264-P261-P271-P303+P361+P353-P370+P378-P302+P352-P312-P362+P364-P332+P313-P305+P351+P338-P310-P304+P340-P403+P235-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
Applications
UsesNSC 95413 is used as a reagent in chemical processes.
General DescriptionA colorless or yellow liquid with a pungent disagreeable odor. Flash point 118°F. Density 1.077 g / cm3 (8.96 lb / gal). May be irritating to the eyes and mucous membranes; long-term exposure may result in adverse health effects. Vapors denser than air. Used to make other chemicals, plastics.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers61 total
Related reactions
Compound notes
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