3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-2H-PYRAN-6-CARBOXYLIC ACID

Modify Date: 2024-01-14 16:32:16

3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-2H-PYRAN-6-CARBOXYLIC ACID Structure
3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-2H-PYRAN-6-CARBOXYLIC ACID structure
Common Name 3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-2H-PYRAN-6-CARBOXYLIC ACID
CAS Number 80866-93-9 Molecular Weight 170.16300
Density 1.1456 (rough estimate) Boiling Point 259ºC at 760 mmHg
Molecular Formula C8H10O4 Melting Point 170ºC (dec.)(lit.)
MSDS N/A Flash Point 102.4ºC

 Names

Name 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1456 (rough estimate)
Boiling Point 259ºC at 760 mmHg
Melting Point 170ºC (dec.)(lit.)
Molecular Formula C8H10O4
Molecular Weight 170.16300
Flash Point 102.4ºC
Exact Mass 170.05800
PSA 63.60000
LogP 0.72290
Index of Refraction 1.4425 (estimate)

 MSDS

Name: 3 5-Dinitro-2-Methylbenzyl Alcohol 97% Material Safety Data Sheet
Synonym: None known
CAS: 80866-93-9
Section 1 - Chemical Product MSDS Name:3 5-Dinitro-2-Methylbenzyl Alcohol 97% Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
80866-93-9 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyra 279-596-1
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 80866-93-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 86.00 - 89.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H8N2O5
Molecular Weight: 212.16

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Acid anhydrides, acid chlorides, acids, strong bases, strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 80866-93-9: UP6990000 LD50/LC50:
CAS# 80866-93-9: Oral, mouse: LD50 = 595 mg/kg.
Carcinogenicity:
3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid, 9 - 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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 80866-93-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 80866-93-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 80866-93-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UP6990000
CHEMICAL NAME :
4H-Pyran-2-carboxylic acid, 5,6-dihydro-6,6-dimethyl-4-oxo-
CAS REGISTRY NUMBER :
80866-93-9
BEILSTEIN REFERENCE NO. :
0121772
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H10-O4
MOLECULAR WEIGHT :
170.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
595 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 42,145,1987

 Safety Information

Hazard Codes Xn: Harmful;
Risk Phrases 22
Safety Phrases S24/25
WGK Germany 3
RTECS UP6990000
HS Code 2932999099

 Synthetic Route

~51%

3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-2H-PYRAN-6-CARBOXYLIC ACID Structure

3,4-DIHYDRO-2,2...

CAS#:80866-93-9

Literature: Coudert, P.; Couquelet, J.; Fialip, J.; Sannajust, F.; Bastide, P.; Eschalier, A. Farmaco, Edizione Scientifica, 1987 , vol. 42, # 2 p. 145 - 158

 Precursor & DownStream

Precursor  1

DownStream  0

 Customs

HS Code 2932999099
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

4H-Pyran-2-carboxylic acid,5,6-dihydro-6,6-dimethyl-4-oxo
5,6-Dihydro-6,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid
EINECS 279-596-1
3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid
3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyrane-6-carboxylic acid
2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid
6,6-Dimethyl-4-oxo-5,6-dihydro-4H-pyran-2-carbonsaeure
Acide dimethyl-6,6 dihydro-5,6 pyrone-4 carboxylique-2 [French]
5,6-dihydro-6,6-dimethyl-4-oxo-4H-pyran-2-ylcarboxylic acid
acide dimethyl-6,6 dihydro-5,6 pyrone-4 carboxylique-2
6,6-dimethyl-4-oxo-5H-6-hydropyran-2-carboxylic acid
6,6-dimethyl-4-oxo-5,6-dihydro-4H-pyran-2-carboxylic acid
MFCD00006575
2H-Pyran-6-carboxylic acid,3,4-dihydro-2,2-dimethyl-4-oxo
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