2-Isobutyrylcyclohexanone

Modify Date: 2024-01-02 13:08:19

2-Isobutyrylcyclohexanone Structure
2-Isobutyrylcyclohexanone structure
Common Name 2-Isobutyrylcyclohexanone
CAS Number 39207-65-3 Molecular Weight 168.233
Density 1.0±0.1 g/cm3 Boiling Point 265.9±23.0 °C at 760 mmHg
Molecular Formula C10H16O2 Melting Point 38°C
MSDS Chinese USA Flash Point 98.4±19.6 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 2-Isobutyrylcyclohexanone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 265.9±23.0 °C at 760 mmHg
Melting Point 38°C
Molecular Formula C10H16O2
Molecular Weight 168.233
Flash Point 98.4±19.6 °C
Exact Mass 168.115036
PSA 34.14000
LogP 0.96
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.464

 MSDS


Section 1: Product Identification
Chemical Name:2-Isobutyrylcyclohexanone, 96% (~96% enol form)
CAS Registry Number:39207-65-3
Formula:C10H16O2
EINECS Number:none
Chemical Family:organic compound
Synonym:none

Section 2: Composition and Information on Ingredients
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title compound39207-65-3100%no datano data

Section 3: Hazards Identification
Emergency Overview:Irritating to skin, eyes and respiratory tract.
Primary Routes of Exposure:Ingestion, inhalation
Eye Contact:Causes slight to mild irritation of the eyes.
Skin Contact:Causes slight to mild irritation of the skin.
Inhalation:Irritating to the nose, mucous membranes and respiratory tract.
Ingestion:No information available on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects:Irritating to skin, eyes and respiratory tract.
Chronic Health Affects:No information on long-term chronic effects.
NTP:No
IARC:No
OSHA:No

SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
Flash Point:219.2°F
Autoignition Temperature:no data
Explosion Limits:no data
Extinguishing Medium:carbon dioxide, dry powder or foam
If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion andIf involved in a fire this material may emit irritating fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up.

SECTION 7: Handling and Storage
Handling and Storage:Store in a tightly sealed container. Keep in a cool, dry, well ventilated place.

SECTION 8: Exposure Controls and Personal Protection
Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection:Wear protective clothing and gloves.
Ventilation:Handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation:Handle the material in an efficient fume hood.
Additional Protection:No additional protection required.

SECTION 9: Physical and Chemical Properties
Color and Form:colorless liquid
Molecular Weight:168.23
Melting Point:38°
Boiling Point:no data
Vapor Pressure:no data
Specific Gravity:no data
Odor:not determined
Solubility in Water:insoluble

SECTION 10: Stability and Reactivity
Stability:air and moisture stable
Hazardous Polymerization:no hazardous polymerization
Conditions to Avoid:none
Incompatibility:oxidizing agents
Decomposition Products:carbon monoxide, carbon dioxide, organic fumes

SECTION 11: Toxicological Information
RTECS Data:No information available in the RTECS files.
Carcinogenic Effects:no data
Mutagenic Effects:no data
Tetratogenic Effects:no data

SECTION 12: Ecological Information
Ecological Information:No information available

SECTION 13: Disposal Considerations
Disposal:Dispose of according to local, state and federal regulations.

SECTION 14: Transportation
Shipping Name (CFR):Non-hazardous
Hazard Class (CFR):NA
Additional Hazard Class (CFR):NA
Packaging Group (CFR):NA
UN ID Number (CFR):NA
Shipping Name (IATA):Non-hazardous
Hazard Class (IATA):NA
Additional Hazard Class (IATA):NA
Packaging Group (IATA):NA
UN ID Number (IATA):NA

SECTION 15: Regulatory Information
TSCA:Not listed in the TSCA inventory
SARA (Title 313):Title compound not listed
Second Ingredient:none


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H319
Precautionary Statements P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn
Risk Phrases R22;R36
Safety Phrases S26
RIDADR NONH for all modes of transport
HS Code 2914299000

 Synthetic Route

~38%

2-Isobutyrylcyclohexanone Structure

2-Isobutyrylcyc...

CAS#:39207-65-3

Literature: Corr, Michael J.; Roydhouse, Mark D.; Gibson, Kirsty F.; Zhou, Sheng-Ze; Kennedy, Alan R.; Murphy, John A. Journal of the American Chemical Society, 2009 , vol. 131, # 49 p. 17980 - 17985

~40%

2-Isobutyrylcyclohexanone Structure

2-Isobutyrylcyc...

CAS#:39207-65-3

Literature: Shafir, Alexandr; Buchwald, Stephen L. Journal of the American Chemical Society, 2006 , vol. 128, # 27 p. 8742 - 8743

~%

2-Isobutyrylcyclohexanone Structure

2-Isobutyrylcyc...

CAS#:39207-65-3

Literature: Murray, Ewan J.; Crowley, Rebecca C.; Truman, Alex; Clarke, Simon R.; Cottam, James A.; Jadhav, Gopal P.; Steele, Victoria R.; O'Shea, Paul; Lindholm, Catharina; Cockayne, Alan; Chhabra, Siri Ram; Chan, Weng C.; Williams, Paul Journal of Medicinal Chemistry, 2014 , vol. 57, # 6 p. 2813 - 2819

~82%

2-Isobutyrylcyclohexanone Structure

2-Isobutyrylcyc...

CAS#:39207-65-3

Literature: Baudoux, Dominique; Fuks, Robert Bulletin des Societes Chimiques Belges, 1984 , vol. 93, # 11 p. 1009 - 1018

 Customs

HS Code 2914299000
Summary 2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

 Articles1

More Articles
An alternative to the classical α-arylation: the transfer of an intact 2-iodoaryl from ArI(O₂CCF₃)₂.

Angew. Chem. Int. Ed. Engl. 53(42) , 11298-301, (2014)

The α-arylation of carbonyl compounds is generally accomplished under basic conditions, both under metal catalysis and via aryl transfer from the diaryl λ(3)-iodanes. Here, we describe an alternative ...

 Synonyms

2-Isobutyrylcyclohexanone
Cyclohexanone, 2-(2-methyl-1-oxopropyl)-
MFCD00466185
2-(2-methylpropanoyl)cyclohexan-1-one
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