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538-58-9

538-58-9 structure
538-58-9 structure
  • Name: dibenzylideneacetone
  • Chemical Name: 1,5-Diphenyl-3-pentadienone
  • CAS Number: 538-58-9
  • Molecular Formula: C17H14O
  • Molecular Weight: 234.29200
  • Catalog: Signaling Pathways Anti-infection Bacterial
  • Create Date: 2018-02-06 08:00:00
  • Modify Date: 2024-01-02 13:40:04
  • Dibenzylideneacetone is a small molecule inhibitor of Botrytis cinerea chitinase with an IC50 of 13.10 μg/mL. The MIC of Botrytis cinerea was 32 μg/mL, and the EC50 values for inhibiting mycelial growth and spore germination were 16.29 and 14.64 μg/mL, respectively. Dibenzylideneacetone is a potential antifungal agent for fruit preservation, which effectively extends the preservation time of cherries[1].

Name 1,5-Diphenyl-3-pentadienone
Synonyms Styrol ketone
1,5-diphenyl-1,4-pentadiene-3-one
MFCD00004790
DISTYRYL KETONE
1,5-diphenylpenten-1,4-dien-3-one
1,3-Dibenzylideneacetone
Bis(2-phenylvinyl) ketone
DIBENZAL ACETONE
1,5-Diphenylpenta-1,4-dien-3-one
EINECS 208-697-5
1,5-diphenyl pent-1,4-diene-3-one
Di(2-phenylvinyl) ketone
Description Dibenzylideneacetone is a small molecule inhibitor of Botrytis cinerea chitinase with an IC50 of 13.10 μg/mL. The MIC of Botrytis cinerea was 32 μg/mL, and the EC50 values for inhibiting mycelial growth and spore germination were 16.29 and 14.64 μg/mL, respectively. Dibenzylideneacetone is a potential antifungal agent for fruit preservation, which effectively extends the preservation time of cherries[1].
Related Catalog
Target

Chitinase[1]

References

[1]. Niu X, Wang Z, Wang C, Wang H. Dibenzylideneacetone Overcomes Botrytis cinerea Infection in Cherry Tomatoes by Inhibiting Chitinase Activity. J Agric Food Chem. 2023 Nov 1.  

Density 1.1g/cm3
Boiling Point 400.7ºC at 760 mmHg
Melting Point 112-114ºC
Molecular Formula C17H14O
Molecular Weight 234.29200
Flash Point 176.2ºC
Exact Mass 234.10400
PSA 17.07000
LogP 3.98230
Index of Refraction 1.649
Storage condition 0-6°C
Stability Stable. Incompatible with strong oxidizing agents. Combustible.
Name: 1,5-Diphenyl-3-pentadienone Material Safety Data Sheet
Synonym: 1,4-Pentadien-3-one, 1,5-diphenyl-; 1,5-Diphenyl-1,4-penadien-3-one; Dibenzalacetone; Dibenzylidene acetone; Distyryl ketone
CAS: 538-58-9
Section 1 - Chemical Product MSDS Name: 1,5-Diphenyl-3-pentadienone Material Safety Data Sheet
Synonym: 1,4-Pentadien-3-one, 1,5-diphenyl-; 1,5-Diphenyl-1,4-penadien-3-one; Dibenzalacetone; Dibenzylidene acetone; Distyryl ketone
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
538-58-9 1,5-Diphenyl-3-pentadienone 100 208-697-5
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 immediately.
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:
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 immediately.
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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# 538-58-9: Personal Protective Equipment
Eyes:
Wear chemical splash goggles. 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: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 111.00 - 113.00 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: C17H14O
Molecular Weight: 234.30
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 538-58-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,5-Diphenyl-3-pentadienone - 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. 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# 538-58-9: No information available. Canada CAS# 538-58-9 is listed on Canada's DSL List. CAS# 538-58-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 538-58-9 is listed on the TSCA inventory.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 12/21/1998 Revision #2 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A
Hazard Codes Xi
Safety Phrases S22-S24/25
WGK Germany 3