trans-2-butene-1,4-dicarboxylic acid diethyl ester

Modify Date: 2024-01-15 00:01:50

trans-2-butene-1,4-dicarboxylic acid diethyl ester Structure
trans-2-butene-1,4-dicarboxylic acid diethyl ester structure
Common Name trans-2-butene-1,4-dicarboxylic acid diethyl ester
CAS Number 77116-74-6 Molecular Weight 200.23200
Density 1.04 Boiling Point 259.4ºC at 760 mmHg
Molecular Formula C10H16O4 Melting Point 195-196ºC
MSDS N/A Flash Point 120.2ºC

 Names

Name trans-2-butene-1,4-dicarboxylic acid diethyl ester
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.04
Boiling Point 259.4ºC at 760 mmHg
Melting Point 195-196ºC
Molecular Formula C10H16O4
Molecular Weight 200.23200
Flash Point 120.2ºC
Exact Mass 200.10500
PSA 52.60000
LogP 1.44900
Index of Refraction 1.448

 MSDS


Section I.Chemical Product and Company Identification
Chemical Name trans-2-Butene-1,4-dicarboxylic Acid Diethyl Ester
Portland OR
SynonymDiethyl trans-2-Butene-1,4-Dicarboxylate
Chemical FormulaC2H5O2CH2CHC:CHCH2CO2C2H5
CAS Number77116-74-6

Section II.Composition and Information on Ingredients
Chemical NameCAS Number Percent (%)TLV/PELToxicology Data
trans-2-Butene-1,4-dicarboxylic Acid Diethyl Ester77116-74-6Min. 98.0 Not available.Not available.
(GC)

Section III. Hazards Identification
Acute Health EffectsNo specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
CARCINOGENIC EFFECTS : Not available.
Chronic Health Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
Toxicity to the reproductive system: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
not known to aggravate existing medical conditions.

Section IV.First Aid Measures
Eye ContactCheck for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum
of 15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
supportively.
Skin ContactIf the chemical gets spilled on a clothed portion of the body, remove the contaminated clothes as quickly as possible,
protecting your own hands and body. Place the victim under a deluge shower. If the chemical touches the victim's
exposed skin, such as the hands: Gently and thoroughly wash the contaminated skin with running water and non-abrasive
soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the irritated skin with an emollient. Seek
medical attention. Treat symptomatically and supportively. Wash any contaminated clothing before reusing.
InhalationIf the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If
breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
Remove dentures if any. Have conscious person drink several glasses of water or milk. INDUCE VOMITING by sticking
Ingestion
finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. NEVER give an unconscious
person anything to ingest. Seek medical attention. Treat symptomatically and supportively.

Section V. Fire and Explosion Data
Not available.
FlammabilityCombustible.Auto-Ignition
Flammable Limits
Flash PointsNot available.
Not available.
Combustion ProductsThese products are toxic carbon oxides (CO, CO 2).
Fire Hazards
No specific information is available regarding the flammability of this compound in the presence of various materials.
Explosion HazardsRisks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
No additional information is available regarding the risks of explosion.
Fire Fighting Media
SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Continued on Next Page
trans-2-Butene-1,4-dicarboxylic Acid Diethyl Ester

Section VI.Accidental Release Measures
Spill CleanupCombustible material.
InstructionsKeep away from heat and sources of ignition. Mechanical exhaust required. Stop leak if without risk. Finish cleaning the
spill by rinsing any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities
for assistance on disposal.

Section VII. Handling and Storage
Handling and StorageKeep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the container
and store in a dry, cool place. Avoid excessive heat and light. Do not breathe gas, fumes, vapor or spray. In case of
Information
insufficient ventilation, wear suitable respiratory equipment. If you feel unwell, seek medical attention and show the label
when possible. Treat symptomatically and supportively. Avoid contact with skin and eyes.
Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
Engineering ControlsProvide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their
respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
Personal ProtectionSplash goggles. Lab coat. Vapor respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid
inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
this product.
Exposure LimitsNot available.

Section IX. Physical and Chemical Properties
Solubility
Physical state @ 20°CLiquid.Not available.
1.04
Specific Gravity
Molecular Weight200.23Partition CoefficientNot available.
Boiling Point115 to 118°C @ 2mmHgVapor PressureNot available.
Melting PointNot available.Vapor DensityNot available.
Not available.VolatilityNot available.
Refractive Index
Critical TemperatureNot available.OdorNot available.
ViscosityNot available.TasteNot available.

Section X.Stability and Reactivity Data
Stability
This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of InstabilityAvoid excessive heat and light.
Incompatibilities
Reactive with strong oxidizing agents.

Section XI. Toxicological Information
RTECS NumberNot available.
Eye contact. Ingestion. Inhalation.
Routes of Exposure
Toxicity DataNot available.
Chronic Toxic EffectsCARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
Toxicity to the reproductive system: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
known to aggravate existing medical conditions.
No specific information is available in our data base regarding the toxic effects of this material for humans. However,
Acute Toxic Effects
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Continued on Next Page
trans-2-Butene-1,4-dicarboxylic Acid Diethyl Ester

Section XII.Ecological Information
EcotoxicityNot available.
Not available.
Environmental Fate

Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
Waste Disposal
a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state, and local regulations when disposing of this substance.

Section XIV. Transport Information
DOT ClassificationNot a DOT controlled material (United States).
Not available.
PIN Number
Proper Shipping Name
Not available.
Packing Group (PG)Not available.
DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS ClassificationNot controlled under WHMIS (Canada).
(Canada)
EINECS Number (EEC) Not available.
EEC Risk StatementsNot available.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Risk Phrases 36/37/38
Safety Phrases 26-36/37/39
HS Code 2917190090

 Synthetic Route

~62%

trans-2-butene-1,4-dicarboxylic acid diethyl ester Structure

trans-2-butene-...

CAS#:77116-74-6

Literature: Baldwin, Jack E.; Kelly, David R. Journal of the Chemical Society, Chemical Communications, 1985 , # 11 p. 682 - 684

~95%

trans-2-butene-1,4-dicarboxylic acid diethyl ester Structure

trans-2-butene-...

CAS#:77116-74-6

Literature: Verma, Rekha; Ghosh, Sunil K. Journal of the Chemical Society - Perkin Transactions 1, 1998 , # 15 p. 2377 - 2381

~%

trans-2-butene-1,4-dicarboxylic acid diethyl ester Structure

trans-2-butene-...

CAS#:77116-74-6

Literature: Yamaguchi, Masahiko; Hasebe, Koichi; Tanaka, Shinya; Minami, Toru Tetrahedron Letters, 1986 , vol. 27, # 8 p. 959 - 962

~%

trans-2-butene-1,4-dicarboxylic acid diethyl ester Structure

trans-2-butene-...

CAS#:77116-74-6

Literature: Pirillo; Leggeri; Traverso Farmaco, Edizione Scientifica, 1984 , vol. 39, # 11 p. 963 - 967

~%

trans-2-butene-1,4-dicarboxylic acid diethyl ester Structure

trans-2-butene-...

CAS#:77116-74-6

Literature: Pino Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1954 , vol. <8> 16, p. 640,643

~%

trans-2-butene-1,4-dicarboxylic acid diethyl ester Structure

trans-2-butene-...

CAS#:77116-74-6

Literature: Oehme, G.; Pracejus, H. Journal fuer Praktische Chemie (Leipzig), 1980 , vol. 322, # 5 p. 798 - 808

 Customs

HS Code 2917190090
Summary 2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

hex-2t-enedioic acid diethyl ester
Diethyl trans-3-Hexenedioate
trans-2-Butene-1,4-dicarboxylic Acid Diethyl Ester trans-3-Hexenedioic Acid Diethyl Ester Diethyl trans-2-Butene-1,4-dicarboxylate
TRANS-3-HEXENEDIOIC ACID DIETHYL ESTER
Hex-2t-endisaeure-diaethylester
DIETHYL TRANS-2-BUTENE-1,4-DICARBOXYLATE