Grundinformationen
- Standard-SMILES
CCCCOC- InChIKey
CXBDYQVECUFKRK-UHFFFAOYSA-N- Summenformel
- C5H12O
- Durchschnittliche Molmasse
- 88,15 g/mol
- Monoisotopische Masse
- 88,088815
Überblick
Butyl methyl ether appears as a clear liquid. Less dense than water and slightly soluble in water. Vapors heavier than air. May be toxic by inhalation or skin absorption and irritating to skin. Used as a gasoline additive.
Namen und Bezeichner
- Bevorzugter Name
- Butyl methyl ether
- IUPAC
- 1-methoxybutane
- Lokaler Name
- Butylmethylether
- Englischer Name
- N-BUTYL METHYL ETHER
- Summenformel
- C5H12O
- Molmasse
- 88.15
Namen und Synonyme
1-MethoxybutaneBUTYL METHYL ETHERButane, 1-methoxy-EINECS 211-033-7buthyl methly esterUN2350n-C4H9OCH3DTXSID5074559UN 2350alphaMethoxybutaneButane, 1methoxyMethyl nbutyl ether
Weitere Namen anzeigen
Methyl butyl etherBUTHYLMETHYLETHERα-methoxybutane1-methoxy-butanmethylbutyletherButylmethlyetherbutane,1-methoxy-
RefChem:122275Butane, 1methoxy (9CI)Butane, 1-methoxy-(9CI)DTXCID1043542211-033-7CXBDYQVECUFKRK-UHFFFAOYSA-NInChI=1/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H628-28-4
Datenbank-Bezeichner
- CAS
628-28-4- PubChem CID
- 12338
- DTXSID
DTXSID5074559- EC Number
- 211-033-7
- Nikkaji
- J43.346B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 9,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 19,9
Experimentelle und physikochemische Eigenschaften
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Ethers (<C12)
SpringerMaterials PropertiesChemical shift
LogP1.66
Vapor Pressure139.0 [mmHg]
Physical Description
Butyl methyl ether appears as a clear liquid. Less dense than water and slightly soluble in water. Vapors heavier than air. May be toxic by inhalation or skin absorption and irritating to skin. Used as a gasoline additive.
Clear liquid; [CAMEO] Clear colorless liquid; [Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 115 °C · −115 °C(lit.)
- Siedepunkt
- 70 · 70-71 °C(lit.)
- Dichte
- 0.744 g/mL · 0.744 g/mL at 25 °C(lit.)
- Dampfdruck
- 139 mm · 139 mm Hg ( 25 °C)
- Brechungsindex
- 20 · n20/D 1.374(lit.)
- Flammpunkt
- 14 °F · 14 °F
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Spezifische Wärmekapazität
- 2.19 J/ · Cp(liquid): 2.19 J/(g·K), at 25℃
- BRN
- 1696931 · 1696931
- Henry's Law Constant
- 6.6 · 6.6×10-3 mol/(m3Pa) at 25℃, Brockbank (2013)
- InChI
- 1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3
- InChIKey
- CXBDYQVECUFKRK-UHFFFAOYSA-N
- SMILES
- CCCCOC
- LogP
- 1.66 · 1.660
- CAS Datenbank
- 628 · 628-28-4(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · Butane, 1-methoxy- (628-28-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Butyl methyl ether: HSNO Approval: HSR001245 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.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
· Inhalation or contact with material may irritate or burn skin and eyes.
Hazards Summary
Highly flammable; Readily oxidized by air producing explosive peroxides; [CAMEO] Causes general anesthesia in inhalation lethal-concentration studies of mice; Causes changes in liver weight and estrogenic effects in 14-day intermittent study of rats (16,800 mg/kg); [RTECS] May form explosive peroxides; May cause irritation; [Aldrich MSDS]
DOT ID and Guide2350 127
Reactive GroupEthers
Reactivity AlertsHighly Flammable
Reactivity Profile
BUTYL METHYL ETHER can act as a base to form salts or addition compounds with strong acids. May react violently with strong oxidizing agents. Oxidizes readily in air. Relatively unreactive in other reactions, which typically involve the breaking of the carbon-oxygen bond.
DOT Hazard Classification
Butyl methyl ether
UN2350
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Oxidizes readily in air to form unstable peroxides that may explode spontaneously [Bretherick 1979 p.151-154, 164]. Less dense than water and slightly soluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable agents - 3rd degree, Reactive agents - 1st degree
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
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 127 [Flammable Liquids (Water-Miscible)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Isolation and Evacuation
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 176,000 mg/m3/15min
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- ridadr
- UN 2350
- hs_code
- 2909.30.6000
- RTECS-Nr.
- KN5240000
- risk_code
- 11-19
- hazard_code
- F
- safety_code
- 16-23
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 2
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as a gasoline additive; [CAMEO]
Petroleum Production and Refining [Category: Industry]
Anwendungen
VerwendenButyl Methyl Ether (n-Butyl methyl ether) is an important organic ether compound that can be used as a gasoline additive.
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