CompoundList
Sign in
Impurities and reference standards

Piperonal impurity 4

Also known as 1-(benzo[d][1,3]dioxol-5-yl)-4-methylpentan-1-one

CAS 101558-06-9Formula C13H16O3Molar mass 220.27 g/mol
Get quotes Safety data
Piperonal impurity 4 chemical structure, C13H16O3, CAS 101558-06-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
101558-06-9
Formula
C13H16O3
Molar mass
220.27 g/mol
HS code
293299
Category
Impurities and reference standards

What is Piperonal impurity 4?

Plain description, key identifiers and synonyms

Piperonal impurity 4 is a chemical substance with the molecular formula C13H16O3 and a molar mass of 220.27 g/mol. Its CAS registry number is 101558-06-9. The IUPAC name is 1-(1,3-benzodioxol-5-yl)-4-methylpentan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(1,3-benzodioxol-5-yl)-4-methylpentan-1-one
CAS number
101558-06-9
Molecular formula
C13H16O3
InChIKey
LXCDJMWSQQMSJL-UHFFFAOYSA-N
InChI
InChI=1S/C13H16O3/c1-9(2)3-5-11(14)10-4-6-12-13(7-10)16-8-15-12/h4,6-7,9H,3,5,8H2,1-2H3
SMILES (canonical and isomeric)
CC(C)CCC(=O)C1=CC2=C(C=C1)OCO2

Synonyms

  • 1-(benzo[d][1,3]dioxol-5-yl)-4-methylpentan-1-one

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
220.27 g/molcalc.
Exact mass
220.1099 Dacalc.
LogP (octanol/water)
3.03calc.
Topological polar surface area
35.53 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
16calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc2c(c1)OCO2

c1ccc2c(c1)OCO2

2 rings, 9 atoms, the 1,3-Benzodioxole ring system.

4,560 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Piperonal impurity 4 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Piperonal impurity 4 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Piperonal impurity 4 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Piperonal impurity 4 is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Piperonal impurity 4 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Piperonal impurity 4, based on the data on this page

What is Piperonal impurity 4?

Piperonal impurity 4 is a chemical substance with the molecular formula C13H16O3 and a molar mass of 220.27 g/mol. Its CAS registry number is 101558-06-9. The IUPAC name is 1-(1,3-benzodioxol-5-yl)-4-methylpentan-1-one.

What is the CAS number of Piperonal impurity 4?

The CAS registry number of Piperonal impurity 4 is 101558-06-9.

What is the molecular formula and weight of Piperonal impurity 4?

The molecular formula of Piperonal impurity 4 is C13H16O3 and its molar mass is 220.27 g/mol.

Is Piperonal impurity 4 hazardous?

No GHS hazard classification for Piperonal impurity 4 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Piperonal impurity 4?

Piperonal impurity 4 is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Piperonal impurity 4?

Post a free request on CompoundList and suppliers of Piperonal impurity 4 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Piperonal impurity 4?

Suppliers quote Piperonal impurity 4 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Piperonal impurity 4

Get quotes for Piperonal impurity 4

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Piperonal impurity 4
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Piperonal impurity 4 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/piperonal-impurity-4-101558-06-9" title="Piperonal impurity 4 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Impurities and reference standards or HS code 293299

Price on request
Free quotes, contact stays private
Get quotes