Isobutyl ether

HCID 12346

Notes Reactions

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Basic information

CAS: 628-55-7
Standard SMILES: CC(C)COCC(C)C
InChIKey: SZNYYWIUQFZLLT-UHFFFAOYSA-N
Molecular formula: C8H18O
Average molar mass: 130.23 g/mol
Monoisotopic mass: 130.13576519

Names & identifiers

Preferred name: Isobutyl ether
IUPAC: 2-methyl-1-(2-methylpropoxy)propane
English name: Diisobutyl ether
Molecular formula: C8H18O
Molecular weight: 130.23

Names & synonyms

DIISOBUTYL ETHER628-55-7Isobutyl etherPropane, 1,1'-oxybis[2-methyl-1,1'-Oxybis(2-methylpropane)Propane, 1,1'-oxybis(2-methyl-EINECS 211-045-2BRN 173304202BSW514GRDI-2-BUTYL ETHERISOBUTYL ETHER [MI]1,1'-oxybis[2-methylpropane]

Show more names

Diisobutyl Ether >Bis(2-methylpropyl)etherDiisobutyl Ether, ≥ 99.0%1,1’-oxybis[2-methyl-propan1-Isobutoxy-2-methylpropane1,1’-oxybis[2-methylpropane]1,1’-oxybis(2-methylpropane)1,1’-oxybis(2-methyl)-propan

DTXSID00608564-01-00-01594 (Beilstein Handbook Reference)RefChem:791629DTXCID6043549211-045-22-methyl-1-(2-methylpropoxy)propaneMFCD00008935UNII-02BSW514GR

Database identifiers

CAS: 628-55-7
PubChem CID: 12346
DTXSID: DTXSID0060856
UNII: 02BSW514GR
EC Number: 211-045-2
Nikkaji: J6.879I

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 49

Experimental & physicochemical properties

Kovats Retention Index · 3 items

811

808

969

Physicochemical properties

Melting point: -100 °C · -100°C
Boiling point: 122 °C · 122°C
Density: 0 · 0,75 g/cm3
refractive index: 1.389 · 1.3890-1.3910
Flash point: 8 °C · 8°C
solubility: Chloroform (Slightly), Dichloromethane (Slightly)
form: clear liquid
color: Colorless to Almost colorless
Water Solubility: 137.9 g/L · 137.9g/L(25 ºC)
Merck: 14 · 14,5142
Henry's Law Constant: 3.7 · 3.7×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008)
Stability: Flammable. Incompatible with strong oxidizing agents.
EWG's Food Scores: 1 · 1
FDA UNII: 2 BSW514GR · 02BSW514GR
EPA Substance Registry System: 1 · Propane, 1,1'-oxybis[2-methyl- (628-55-7)
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 225 · H225
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Risk Statements: 11 · 11
Safety Statements: 9 · 9-16-33
RIDADR: 3271 · 3271
RTECS: 1000000 · NQ1000000
TSCA: TSCA listed
HazardClass: 3.1 · 3.1
PackingGroup: III
HS Code: 2909199090 · 2909199090

Safety & regulation

GHS classification

GHS Classification · 5 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: Propane, 1,1'-oxybis[2-methyl-

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Regulatory information

Regulatory InformationChemical: Propane, 1,1'-oxybis[2-methyl-

Safety data

tsca: TSCA listed
rtecs: NQ1000000
ridadr: 3271
hs_code: 2909199090
risk_code: 11
Signal word: Danger
Symbol(GHS): GHS02
safety_code: 9-16-33
hazard_class: 3.1
packing_group: III
Hazard statements: H225
Precautionary statements: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501