Diethyl isophthalate

Modify Date: 2024-01-03 14:22:13

Diethyl isophthalate Structure
Diethyl isophthalate structure
Common Name Diethyl isophthalate
CAS Number 636-53-3 Molecular Weight 222.237
Density 1.1±0.1 g/cm3 Boiling Point 302.0±10.0 °C at 760 mmHg
Molecular Formula C12H14O4 Melting Point 11.5ºC
MSDS N/A Flash Point 157.7±8.5 °C

 Names

Name Diethyl isophthalate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 302.0±10.0 °C at 760 mmHg
Melting Point 11.5ºC
Molecular Formula C12H14O4
Molecular Weight 222.237
Flash Point 157.7±8.5 °C
Exact Mass 222.089203
PSA 52.60000
LogP 3.51
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.508

 MSDS

Name: Diethyl isophthalate Material Safety Data Sheet
Synonym:
CAS: 636-53-3
Section 1 - Chemical Product MSDS Name:Diethyl isophthalate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
636-53-3 Diethyl isophthalate 211-260-1
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 636-53-3: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Viscous liquid
Color: Not available.
Odor: mild odor - characteristic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 166 deg C @10mmHg
Freezing/Melting Point: 12 deg C
Autoignition Temperature: Not available.
Flash Point: 163 deg C ( 325.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density: 1.123
Molecular Formula: C12H14O4
Molecular Weight: 222.24

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 636-53-3: NT2500000 LD50/LC50:
Not available.
Carcinogenicity:
Diethyl isophthalate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 636-53-3: No information available.
Canada
CAS# 636-53-3 is listed on Canada's NDSL List.
CAS# 636-53-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 636-53-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NT2500000
CHEMICAL NAME :
Isophthalic acid, diethyl ester
CAS REGISTRY NUMBER :
636-53-3
BEILSTEIN REFERENCE NO. :
2052705
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H14-O4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1111 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity)
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 56,1446,1967

 Safety Information

Hazard Codes Xi
HS Code 2917399090

 Synthetic Route

~%

Diethyl isophthalate Structure

Diethyl isophthalate

CAS#:636-53-3

Literature: Synthesis, , # 1 p. 40 - 45

~%

Diethyl isophthalate Structure

Diethyl isophthalate

CAS#:636-53-3

Literature: Journal of the Chemical Society, , vol. 69, p. 1241 Journal of the Chemical Society, , vol. 77, p. 278

~%

Diethyl isophthalate Structure

Diethyl isophthalate

CAS#:636-53-3

Literature: Journal of Molecular Structure, , vol. 554, # 2-3 p. 211 - 223

~%

Diethyl isophthalate Structure

Diethyl isophthalate

CAS#:636-53-3

Literature: Tetrahedron, , vol. 60, # 7 p. 1683 - 1691

 Customs

HS Code 2917399090
Summary 2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Synonyms

Diethyl isophthalate
diethyl benzene-1,3-dicarboxylate
1,3-Benzenedicarboxylic acid, diethyl ester
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