HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

Piperonylidene acetone

HCID 6040503
New noteNew reactionRequest quotesPrint preview
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
3160-37-0
Standard SMILES
CC(=O)/C=C/c1ccc2c(c1)OCO2
InChIKey
XIYPXOFSURQTTJ-NSCUHMNNSA-N
Molecular formula
C11H10O3
Average molar mass
190.19 g/mol
Monoisotopic mass
190.06299418

Overview

Piperonyl acetone is a clear yellow liquid. Insoluble in water. (NTP, 1992)

Names & identifiers

Preferred name
Piperonylidene acetone
IUPAC
(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
English name
3,4-(Methylenedioxy)benzylideneacetone
Molecular formula
C11H10O3
Molecular weight
190.2

Names & synonyms

Piperonylidene acetonePiperonalacetonePiperonylideneacetoneAcetone, piperonylidene-3,4-(Methylenedioxy)benzalacetone2-Butanone, 4-(3,4-(methylenedioxy)phenyl)-3-Buten-2-one, 4-(3,4-(methylenedioxy)phenyl)-T43BYJ64EG3,4-Methylenedioxybenzyl acetoneNSC-217304NSC-407384RefChem:863612
Show more names
piperonylene-acetonepiperonylidene-aceton5-(3-OXOBUTYL)-1,3-BENZODIOXOLE5-(3-Oxo-1-butenyl)-1,3-benzodioxole4-(1,3-benzodioxol-5-yl)-3-buten-2-on4-(1,3-benzodioxol-5-yl)but-3-en-2-one4-(1,3-benzodioxol-5-yl)-3-buten-2-one
4-(1,3-benzodioxol-5-yl)-3-butene-2-one221-608-4Piperonyl acetone3160-37-03,4-(METHYLENEDIOXY)BENZYLIDENEACETONE4-(Benzo[d][1,3]dioxol-5-yl)but-3-en-2-one(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-

Database identifiers

CAS
3160-37-0
PubChem CID
6040503
ChEMBL
CHEMBL104084
UNII
T43BYJ64EG
EC Number
221-608-4
Nikkaji
J25.345F、J417.066K

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
247

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Other Aromatic Compounds
Flavoring AgentsEU Flavoring substances
Solubility · 2 items

Insoluble (<1 mg/ml) (NTP, 1992)

INSOL IN WATER, PETROLEUM ETHER; SLIGHTLY SOL IN ALCOHOL, HOT WATER; SOL IN ETHER, BENZENE; VERY SOL IN HOT ALCOHOL, CARBON TETRACHLORIDE

Flash Pointgreater than 200 °F (NTP, 1992)
Melting Point111 °C
Vapor Pressure0.000594 [mmHg]
Physical Description · 2 items

Piperonyl acetone is a clear yellow liquid. Insoluble in water. (NTP, 1992)

Clear yellow liquid; [CAMEO] White or pale yellow powder; [MSDSonline]

Physicochemical properties

Melting point
108 · 108-110°C

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationChemical: 3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Fire PotentialSLIGHT, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS. /PIPERONAL/
Hazards SummaryToxic by ingestion; Estimated lethal dose = 1 ounce to 1 pint; [HSDB] May cause irritation; [MSDSonline]
Reactive GroupEthers
Reactivity Profile · 1 item

PIPERONYL ACETONE is a ketone. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

Air and Water ReactionsInsoluble in water.

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Chemistry & industry

Uses & manufacturing

Household ProductsInformation on 1 consumer products that contain Piperonyl Acetone in the following categories is provided:
General Manufacturing Information3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-: INACTIVE

Applications

General DescriptionClear yellow liquid. Insoluble in water.

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

2 records
New reaction record
HRID 464759 reaction equation
HRID 464759As productuspto-grants-1985_10
HRID 1651357 reaction equation
HRID 1651357As reactantuspto-grants-1990_05

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Boiling point
285.69 °C · 285.69°C (rough estimate)
Density
1.1752 · 1.1752 (rough estimate)
refractive index
1.5854 · 1.5854 (estimate)
BRN
83983 · 83983
CAS DataBase Reference
3160 · 3160-37-0(CAS DataBase Reference)
FDA UNII
43 BYJ64EG · T43BYJ64EG
EPA Substance Registry System
3 · 3,4-(Methylenedioxy)benzalacetone (3160-37-0)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
303 · H303
Precautionary statements
270 · P270-P301+P312-P403-P501c
Safety Statements
22 · 22-24/25
RTECS
9822500 · EM9822500
TSCA
TSCA listed
HS Code
2932990090 · 2932990090
Hazardous Substances Data
3160 · 3160-37-0(Hazardous Substances Data)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Storage Conditions · 1 item

IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER. /PIPERONAL/

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with toluene followed by washing with a strong soap and water solution. Do no reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 1 item

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Safety data

tsca
TSCA listed
rtecs
EM9822500
hs_code
2932990090
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
22-24/25
Hazard statements
H303
Precautionary statements
P270-P301+P312-P403-P501c
Hazardous Substances Data
3160-37-0(Hazardous Substances Data)