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2,3-Epoxy-2,3-dimethylbutane

HCID 21159
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
5076-20-0
Standard SMILES
CC1(C)OC1(C)C
InChIKey
SYQIWVMFOAHDMK-UHFFFAOYSA-N
Molecular formula
C6H12O
Average molar mass
100.16 g/mol
Monoisotopic mass
100.088815

Overview

2,3-epoxy-2,3-dimethylbutane is a colorless liquid. (NTP, 1992)

Names & identifiers

Preferred name
2,3-Epoxy-2,3-dimethylbutane
IUPAC
2,2,3,3-tetramethyloxirane
English name
TETRAMETHYLETHYLENE OXIDE
Molecular formula
C6H12O
Molecular weight
100.16

Names & synonyms

Tetramethyloxirane5076-20-02,3-Dimethyl-2,3-epoxybutaneTetramethylethylene oxide2,2,3,3-TetramethyloxiraneOxirane, tetramethyl-2,3-EPOXY-2,3-DIMETHYLBUTANE2,3-Dimethyl-2-butene oxideButane, 2,3-epoxy-2,3-dimethyl-Oxirane, 2,2,3,3-tetramethyl-EINECS 225-785-9NSC 171212
Show more names
tetramethyl-oxiranOXIRANE,TETRAMETHYL-Oxirane, tetramethyl- (9CI)
DTXSID60636922,3-Dimethyl-2-butene epoxideRefChem:442591DTXCID1040904Butane, 2,3-epoxy-2,3-dimethyl-(8CI)225-785-9MFCD004622172,2,3,3-tetramethyl-oxirane

Database identifiers

CAS
5076-20-0
PubChem CID
21159
DTXSID
DTXSID6063692
EC Number
225-785-9
Nikkaji
J121.672D

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
7
Formal charge
0
Complexity
80.4

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift
Density0.8156 at 61 °F (NTP, 1992) - Less dense than water; will float
SolubilitySoluble (NTP, 1992)
Boiling Point194 to 201 °F at 745 mmHg (NTP, 1992)
Physical Description2,3-epoxy-2,3-dimethylbutane is a colorless liquid. (NTP, 1992)

Physicochemical properties

Boiling point
90 · 90-92 °C/760 mmHg
Density
0.781 g/mL · 0.781 g/mL at 25 °C
refractive index
20 · n 20/D 1.396
Flash point
-4 °C · -4 °C
InChI
1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3
InChIKey
SYQIWVMFOAHDMK-UHFFFAOYSA-N
SMILES
CC1(C)OC1(C)C

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

DOT LabelCombustible Liquid
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Reactive GroupEpoxides
Reactivity AlertsPolymerizable
Reactivity Profile · 1 item

Epoxides, such as 2,3-EPOXY-2,3-DIMETHYLBUTANE, are highly reactive. They polymerize in the presence of catalysts or when heated. These polymerization reactions can be violent. Compounds in this group react with acids, bases, and oxidizing and reducing agents. They react, possibly violently with water in the presence of acid and other catalysts.

Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationOxirane, 2,2,3,3-tetramethyl-: INACTIVE

Applications

General DescriptionColorless liquid.

Upstream & downstream products

Downstream products

3-(Ethylamino)-2,3-dimethyl-2-butanol

Suppliers

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Related reactions

1 records
New reaction record
HRID 1074587 reaction equation
HRID 1074587As productuspto-grants-1983_07

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
EPA Substance Registry System
2 · 2,3-Epoxy-2,3-dimethylbutane (5076-20-0)
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02,GHS07
Signal word
Danger
Hazard statements
225 · H225-H302
Precautionary statements
210 · P210
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
F,Xn
Risk Statements
11 · 11-22
Safety Statements
36 · 36/37
RIDADR
1993 · UN 1993 3/PG 2
WGK Germany
2 · 2
TSCA
TSCA listed
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
4 OralFlam · Acute Tox. 4 OralFlam. Liq. 2

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halone extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: When working with this chemical, wear a NIOSH-approved full face chemical cartridge respirator equipped with the appropriate organic vapor cartridges. If that is not available, a half face respirator similarly equipped plus airtight goggles can be substituted. However, please note that half face respirators provide a substantially lower level of protection than do full face respirators. (NTP, 1992)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
tsca
TSCA listed
ridadr
UN 1993 3/PG 2
risk_code
11-22
Signal word
Danger
Symbol(GHS)
GHS02,GHS07
hazard_code
F,Xn
safety_code
36/37
Storage Class
3 - Flammable liquids
Hazard statements
H225-H302
Hazard Classifications
Acute Tox. 4 OralFlam. Liq. 2
Precautionary statements
P210