Grundinformationen
- Standard-SMILES
C=C(C)CO- InChIKey
BYDRTKVGBRTTIT-UHFFFAOYSA-N- Summenformel
- C4H8O
- Durchschnittliche Molmasse
- 72,11 g/mol
- Monoisotopische Masse
- 72,05751488
Überblick
Methallyl alcohol appears as a colorless liquid with a sharp pungent odor. Soluble in water and floats on water. Moderately toxic by ingestion and is an irritant to eyes and skin. Used in the chemical process industry.
Namen und Bezeichner
- Bevorzugter Name
- Methallyl alcohol
- IUPAC
- 2-methylprop-2-en-1-ol
- Lokaler Name
- 2-Methylprop-2-en-1-ol
- Englischer Name
- Methallyl alcohol
- Summenformel
- C4H8O
- Molmasse
- 72.11
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
513-42-8- PubChem CID
- 10557
- DTXSID
DTXSID4060155- UNII
- H2T2UK4JAP
- EC Number
- 208-161-0
- Nikkaji
- J3.640D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 38,9
Experimentelle und physikochemische Eigenschaften
Physical Description
Methallyl alcohol appears as a colorless liquid with a sharp pungent odor. Soluble in water and floats on water. Moderately toxic by ingestion and is an irritant to eyes and skin. Used in the chemical process industry.
Colorless liquid with a sharp pungent odor; [CAMEO] Clear colorless liquid; [Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -50 °C · -50 °C
- Siedepunkt
- 113 · 113-115 °C(lit.)
- Dichte
- 0.857 g/mL · 0.857 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.426(lit.)
- Flammpunkt
- 92 °F · 92 °F
- storage temp.
- Flammables area
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 14.49 · 14.49±0.10(Predicted)
- Aggregatzustand
- clear liquid
- Wichte
- 0.8515 · 0.8515
- Farbe
- Colorless to Almost colorless
- Wasserlöslichkeit
- 11 g/100 · 11 g/100 mL
- BRN
- 969226 · 969226
- Stabilität
- Light Sensitive
- InChI
- 1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3
- InChIKey
- BYDRTKVGBRTTIT-UHFFFAOYSA-N
- SMILES
- CC(=C)CO
- CAS Datenbank
- 513 · 513-42-8(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Propen-1-ol, 2-methyl-(513-42-8)
- EPA chemische Informationen
- Methallyl alcohol (513-42-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 4.4% (4 of 91) of reports.
Warning
H226 (95.6%): 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+P351+P338, P319, P321, P332+P317, P337+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 91 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Propen-1-ol, 2-methyl-
Status: Active Update: 19-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20768
2-Methylallyl alcohol: Does not have an individual approval but may be used under an appropriate group standard
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
Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Exposure can cause irritation of eyes, nose and throat. (USCG, 1999)
· May cause toxic effects if inhaled or absorbed through skin.
Hazards Summary
A skin, eye, nose, and throat irritant; Moderately toxic by ingestion; [CAMEO] A moderate skin irritant; [RTECS] A skin, eye, nose, and throat irritant; Highly irritating to skin (may cause second degree burns following contact for a few minutes); [CHRIS] An irritant; [Aldrich MSDS]
DOT Hazard Classification
Methallyl alcohol
UN2614
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 (95.6%)
Flammable agents - 3rd degree
Sicherheit und Schutzausrüstung
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
Get medical attention.
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2614
- hs_code
- 29052900
- RTECS-Nr.
- UD5250000
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39-16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2-Methyl-2-propen-1-ol (MePro) attaches to hemicellulose acetylated galactoglucomannan (AcGGM) backbone providing it with pendant sites that allow subsequent cross-linking and hydrogel formation.
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