trans-4-phenylbut-3-en-2-one

Modify Date: 2025-08-21 16:21:48

trans-4-phenylbut-3-en-2-one Structure
trans-4-phenylbut-3-en-2-one structure
 Common Name trans-4-phenylbut-3-en-2-one
CAS Number 1896-62-4 Molecular Weight 146.186
Density 1.0±0.1 g/cm3 Boiling Point 260.8±9.0 °C at 760 mmHg
Molecular Formula C10H10O Melting Point 38.5-41ºC
MSDS Chinese USA Flash Point 65.6±0.0 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Use of trans-4-phenylbut-3-en-2-one


trans-Benzylideneacetone (trans-Benzalacetone), a metabolite of gram-negative entomopathogenic bacterium Xenorhabdus nematophila, is an enzyme inhibitor against phospholipase A2 (PLA2). trans-Benzylideneacetone is an immunosuppressant[1].

 Names

Name trans-benzylideneacetone
Synonym More Synonyms

 trans-4-phenylbut-3-en-2-one Biological Activity

Description trans-Benzylideneacetone (trans-Benzalacetone), a metabolite of gram-negative entomopathogenic bacterium Xenorhabdus nematophila, is an enzyme inhibitor against phospholipase A2 (PLA2). trans-Benzylideneacetone is an immunosuppressant[1].
Related Catalog
Target

PLA2

In Vitro Benzylideneacetone (trans-Benzylideneacetone; 0.005, 0.05, 0.5, 5, 50, 500, 5000 μM) inhibits hemocytespreading behavior of hemocytes of S. exigua larvae. Benzylideneacetone enhances virulence of Bacillus thuringiensisagainst beet armyworm[1].
References

[1]. Kwon B, et al. Benzylideneacetone, an immunosuppressant, enhances virulence of Bacillus thuringiensisagainst beet armyworm (Lepidoptera: Noctuidae). J Econ Entomol. 2008 Feb;101(1):36-41.

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 260.8±9.0 °C at 760 mmHg
Melting Point 38.5-41ºC
Molecular Formula C10H10O
Molecular Weight 146.186
Flash Point 65.6±0.0 °C
Exact Mass 146.073166
PSA 17.07000
LogP 2.17
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.563
Water Solubility practically insoluble

 MSDS

Name: trans-4-Phenyl-3-buten-2-one p.a. Material Safety Data Sheet
Synonym: trans-Benzalacetone; trans-Benzylideneacetone; 3-Buten-2-one, 4-phenyl-, (E)-; Methyl trans-styryl ketone; TPBO; trans-4-Phenylbut-3-en-2-on
CAS: 1896-62-4
Section 1 - Chemical Product MSDS Name:trans-4-Phenyl-3-buten-2-one p.a. Material Safety Data Sheet
Synonym:trans-Benzalacetone; trans-Benzylideneacetone; 3-Buten-2-one, 4-phenyl-, (E)-; Methyl trans-styryl ketone; TPBO; trans-4-Phenylbut-3-en-2-on
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1896-62-4 trans-4-Phenyl-3-buten-2-one >99.0 217-587-6
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Light sensitive.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.
Section 4 - FIRST AID MEASURES
Eyes: Immediately 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. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid generating dusty conditions.
Provide ventilation.
Section 7 - HANDLING and STORAGE
Handling:
Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Store protected from light. Use only in a chemical fume hood. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light.
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# 1896-62-4: 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: Crystals
Color: yellowish
Odor: coumarin
pH: Not available.
Vapor Pressure: 0.009 mmHg @ 25
Viscosity: Not available.
Boiling Point: 260 - 262 deg C @ 7
Freezing/Melting Point: 39.8 deg C
Autoignition Temperature: Not applicable.
Flash Point: 122 deg C ( 251.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Negligible.
Specific Gravity/Density: Not available.
Molecular Formula: C6H5CH=CHCOCH3
Molecular Weight: 146.19
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. May discolor on exposure to light.
Conditions to Avoid:
Incompatible materials, light, dust generation, excess heat.
Incompatibilities with Other Materials:
Direct light, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1896-62-4: EN0330050 LD50/LC50:
Not available.
Carcinogenicity:
trans-4-Phenyl-3-buten-2-one - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 1896-62-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1896-62-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1896-62-4 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 :
EN0330050
CHEMICAL NAME :
3-Buten-2-one, 4-phenyl-, (E)-
CAS REGISTRY NUMBER :
1896-62-4
BEILSTEIN REFERENCE NO. :
0742047
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H10-O
MOLECULAR WEIGHT :
146.20
WISWESSER LINE NOTATION :
1V1U1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
300 ug/plate
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,427,1982

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H317-H319-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xi:Irritant
Risk Phrases R36/37/38
Safety Phrases S26-S37/39
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS EN0330050
HS Code 2914399090

 Synthetic Route

 Customs

HS Code 2914399090
Summary 2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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 Synonyms

Benzylideneacetone
benzylidene-2,4,6-trimethylacetophenone
Benzal-3-nitroaniline
trans-4-Phenyl-3-buten-2-one
(E)-4-Phenyl-3-buten-2-one
2',4',6'-Trimethyl-chalkon
N-benzylidene-3-nitro-aniline
Benzal-m-nitroaniline
mesityl styryl ketone
PhCH=NC6H4-NO2-m
EINECS 204-555-1
ANILINE,N-BENZYLIDENE-m-NITRO
4-phenylbut-3-en-2-one
Benzylidene acetone
2',4',6'-trimethyl-chalcone
3-Buten-2-one, 4-phenyl-
benzalacetomesitylene
MFCD00008779
4-Phenyl-3-buten-2-one
N-Benzylidene-m-nitroaniline
WLN: WNR CNU1R
(E)-4-Phenylbut-3-en-2-one
trans-Benzylidenacetone
N-Benzyliden-3-nitro-anilin
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