3,4-(亚甲二氧基)苯亚甲基丙酮

Description

Piperonyl acetone is identified by CAS 3160-37-0, molecular formula C11H10O3 and molecular weight 190.06 g/mol. UNII T43BYJ64EG; InChIKey XIYPXOFSURQTTJ-NSCUHMNNSA-N. Melting Point: 111 °C; Solubility: Insoluble (<1 mg/ml) (NTP, 1992); Vapor Pressure: 0.000594 [mmHg].

Identification

CAS Registry Number	3160-37-0
PubChem CID	6040503
Molecular formula	C11H10O3
Molecular weight	190.06 g/mol
IUPAC name	(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
InChIKey	XIYPXOFSURQTTJ-NSCUHMNNSA-N
UNII (FDA)	T43BYJ64EG

Computed Descriptors

Molecular Weight	190.19
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	190.062994177
Monoisotopic Mass	190.062994177
Topological Polar Surface Area	35.5
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Melting Point	111 °C
Solubility	Insoluble (<1 mg/ml) (NTP, 1992)
Vapor Pressure	0.000594 [mmHg]

Physical description & handling notes

• Piperonyl acetone is a clear yellow liquid. Insoluble in water. (NTP, 1992)
• Clear yellow liquid; [CAMEO] White or pale yellow powder; [MSDSonline]
• greater than 200 °F (NTP, 1992)
• INSOL IN WATER, PETROLEUM ETHER; SLIGHTLY SOL IN ALCOHOL, HOT WATER; SOL IN ETHER, BENZENE; VERY SOL IN HOT ALCOHOL, CARBON TETRACHLORIDE

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents

Documented Uses

• Information on 1 consumer products that contain Piperonyl Acetone in the following categories is provided:
• 3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-: INACTIVE
• 3. 3= MODERATELY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 0.5-5 G/KG, BETWEEN 1 OUNCE & 1 PINT (OR 1 LB) FOR 70 KG PERSON (150 LB). /PIPERONAL/

Synonyms

Piperonylidene acetone; Piperonalacetone; Piperonylideneacetone; Acetone, piperonylidene-; 3,4-Methylenedioxybenzyl acetone; 3,4-(Methylenedioxy)benzalacetone; 2-Butanone, 4-(3,4-(methylenedioxy)phenyl)-; 3-Buten-2-one, 4-(3,4-(methylenedioxy)phenyl)-; T43BYJ64EG; NSC-217304; NSC-407384; RefChem:863612; 4-(1,3-benzodioxol-5-yl)-3-butene-2-one; 221-608-4; Piperonyl acetone; 3160-37-0

Frequently Asked Questions

What are the CAS number and molecular formula of Piperonyl acetone?

CAS 3160-37-0; molecular formula C11H10O3; molecular weight 190.06 g/mol.

What other names is Piperonyl acetone known by?

Piperonylidene acetone, Piperonalacetone, Piperonylideneacetone, Acetone, piperonylidene-, 3,4-Methylenedioxybenzyl acetone, 3,4-(Methylenedioxy)benzalacetone.

What is the regulatory status of Piperonyl acetone?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents.

What are the key physical properties of Piperonyl acetone?

Melting Point: 111 °C; Solubility: Insoluble (<1 mg/ml) (NTP, 1992); Vapor Pressure: 0.000594 [mmHg].

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.