4-chloro-4'-methylbutyrophenone

Modify Date: 2024-01-18 20:50:28

4-chloro-4'-methylbutyrophenone Structure
4-chloro-4'-methylbutyrophenone structure
Common Name 4-chloro-4'-methylbutyrophenone
CAS Number 38425-26-2 Molecular Weight 196.67300
Density 1.082g/cm3 Boiling Point 309.7ºC at 760mmHg
Molecular Formula C11H13ClO Melting Point 31.5ºC
MSDS N/A Flash Point 164.3ºC

 Names

Name 4-chloro-1-(4-methylphenyl)butan-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.082g/cm3
Boiling Point 309.7ºC at 760mmHg
Melting Point 31.5ºC
Molecular Formula C11H13ClO
Molecular Weight 196.67300
Flash Point 164.3ºC
Exact Mass 196.06500
PSA 17.07000
LogP 3.19670
Index of Refraction 1.52

 MSDS

Name: 4-Chloro-4 -methylbutyrophenone 95% Material Safety Data Sheet
Synonym: 4-Chloro-1-(4-methylphenyl)-1-butanon
CAS: 38425-26-2
Section 1 - Chemical Product MSDS Name:4-Chloro-4 -methylbutyrophenone 95% Material Safety Data Sheet
Synonym:4-Chloro-1-(4-methylphenyl)-1-butanon

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
38425-26-2 4-Chloro-4'-methylbutyrophenone, 95% 95% 253-924-3
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 gastrointestinal irritation with nausea, vomiting and diarrhea. No information found.
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 immediately.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
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 if cough or other symptoms appear.
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.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Wash hands before eating. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas.
Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Good general ventilation should be sufficient to control airborne levels.
Exposure Limits CAS# 38425-26-2: 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:
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: Solid
Color: orange-brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 31.5 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H13ClO
Molecular Weight: 196.68

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 38425-26-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Chloro-4'-methylbutyrophenone, 95% - Not listed by ACGIH, IARC, or NTP.

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# 38425-26-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 38425-26-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 38425-26-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Safety Phrases 24/25
HS Code 2914700090

 Synthetic Route

~92%

4-chloro-4'-methylbutyrophenone Structure

4-chloro-4'-met...

CAS#:38425-26-2

Literature: Merrell Pharmaceuticals, Inc. Patent: US6348597 B2, 2002 ; Location in patent: Page column 24 ;

~97%

4-chloro-4'-methylbutyrophenone Structure

4-chloro-4'-met...

CAS#:38425-26-2

Literature: Merrell Pharmaceuticals Inc. Patent: US6340761 B1, 2002 ; Location in patent: Page column 24-25 ;

~78%

4-chloro-4'-methylbutyrophenone Structure

4-chloro-4'-met...

CAS#:38425-26-2

Literature: Rao, Maddali L.N.; Venkatesh, Varadhachari; Banerjee, Debasis Tetrahedron, 2007 , vol. 63, # 52 p. 12917 - 12926

~%

4-chloro-4'-methylbutyrophenone Structure

4-chloro-4'-met...

CAS#:38425-26-2

Literature: Pablo, Oscar; Guijarro, David; Yus, Miguel Journal of Organic Chemistry, 2013 , vol. 78, # 18 p. 9181 - 9189

 Customs

HS Code 2914700090
Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

 Synonyms

4-Chlor-1-p-tolyl-butan-1-on
4-Chloro-1-(4-methyl-phenyl)-butan-1-one
4-Chloro-4′-methylbutyrophenone
4-CHLORO-4'-METHYLBUTYROPHENONE
4-chloro-1-(4-methylphenyl)-1-butanone
4-CHLORO-1-(4-METHYLPHENYL)-1-OXOBUTANE
EINECS 253-924-3
4-chloro-1-p-tolyl-butan-1-one
4-Chloro-4‘-methylbutyrophenone
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