CAS 628-28-4 Butyl methyl ether (HCID 12338)

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Basic information

CAS: 628-28-4
Standard SMILES: CCCCOC
InChIKey: CXBDYQVECUFKRK-UHFFFAOYSA-N
Molecular formula: C5H12O
Average molar mass: 88.15 g/mol
Monoisotopic mass: 88.088815

Overview

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.

Names & identifiers

Preferred name: Butyl methyl ether
IUPAC: 1-methoxybutane
English name: N-BUTYL METHYL ETHER
Molecular formula: C5H12O
Molecular weight: 88.15

Names & synonyms

1-MethoxybutaneBUTYL METHYL ETHERButane, 1-methoxy-EINECS 211-033-7buthyl methly esterUN2350n-C4H9OCH3DTXSID5074559UN 2350alphaMethoxybutaneButane, 1methoxyMethyl nbutyl ether

Show more names

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

Database identifiers

CAS: 628-28-4
PubChem CID: 12338
DTXSID: DTXSID5074559
EC Number: 211-033-7
Nikkaji: J43.346B

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 6
Formal charge: 0
Complexity: 19.9

Experimental & physicochemical properties

Chemical ClassesFlammable agents - 3rd degree

SolventsSolvents -> Ethers (<C12)

SpringerMaterials PropertiesChemical shift

LogP1.66

Vapor Pressure139.0 [mmHg]

Physical Description · 2 items

Clear liquid; [CAMEO] Clear colorless liquid; [Aldrich MSDS]

Physicochemical properties

Melting point: 115 °C · −115 °C(lit.)
Boiling point: 70 · 70-71 °C(lit.)
Density: 0.744 g/mL · 0.744 g/mL at 25 °C(lit.)
vapor pressure: 139 mm · 139 mm Hg ( 25 °C)

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 2 items

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 · 2 items

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 items

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

· Inhalation or contact with material may irritate or burn skin and eyes.

Hazards Summary · 1 item

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

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used as a gasoline additive; [CAMEO]

Petroleum Production and Refining [Category: Industry]

Applications

UsesButyl Methyl Ether (n-Butyl methyl ether) is an important organic ether compound that can be used as a gasoline additive.

General DescriptionA clear liquid. Flash point 95°F. 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.