Piperonal
Also known as Heliotropin, Heliotropine, Piperonyl aldehyde
Key facts
What buyers check first
- Appearance
- Colorless, lustrous crystals
- Melting point
- 37 ยฐC
- Boiling point
- 263 ยฐC
- Solubility
- In water, 3.5 ร 10โบยณ mg/L at 20 ยฐC
- HS code
- 293293
- Category
- Synthetic aroma chemicals
What is Piperonal?
Plain description, key identifiers and synonyms
Piperonal is an arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum. It has a role as a fragrance, an insect repellent and a plant metabolite. It is an arenecarbaldehyde and a member of benzodioxoles.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 1,3-benzodioxole-5-carbaldehyde
- CAS number
- 120-57-0 CAS number cross-checkedOther or deprecated CAS: 30024-74-9
- EC number
- 204-409-7
- Molecular formula
- C8H6O3
- UNII
- KE109YAK00
- INCI name
- HELIOTROPINE
- InChIKey
- SATCULPHIDQDRE-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
- SMILES (canonical and isomeric)
- C1OC2=C(O1)C=C(C=C2)C=O
Synonyms
- Heliotropin
- Heliotropine
- Piperonyl aldehyde
- Piperonaldehyde
- 1,3-Benzodioxole-5-carbaldehyde
- Piperonylaldehyde
- Geliotropin
- 3,4-Methylenedioxybenzaldehyde
- 1,3-Benzodioxole-5-carboxaldehyde
- 3,4-(Methylenedioxy)benzaldehyde
- 5-Formyl-1,3-benzodioxole
- Protocatechuic aldehyde methylene ether
- 3,4-Dihydroxybenzaldehyde methylene ketal
- 3,4-Dimethylenedioxybenzaldehyde
- 2H-1,3-Benzodioxole-5-Carbaldehyde
- Dioxymethylene protocatechuic aldehyde
- Benzaldehyde, 3,4-(methylenedioxy)-
- Dioxymethyleneprotocatechuic aldehyde
- heliotrin
- Benzo[D][1,3]Dioxole-5-Carbaldehyde
- 3,4-Bis(methylenedioxy)benzaldehyde
- Dioxymethylene-protocatechuic aldehyde
- 3,4-Methylene-dihydroxybenzaldehyde
- 3,4-methylenedioxy-benzaldehyde
- 3,4-Methylen-dioxy-benzaldehyde
Show all 35 synonymsShow fewer synonyms
- benzo[1,3]dioxole-5-carbaldehyde
- Heliotropin (natural)
- 2H-benzo[d]1,3-dioxolane-5-carbaldehyde
- Controlled Substance<br>(Tadalafil Impurity H)
- Piperonale
- Piperanal
- Blue P
- Piperonal, 8CI
- Piperonal, 99%
- Heliotropine (piperonal)
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
| Appearance | Colorless, lustrous crystalsexp.Measured value |
|---|---|
| Odour | Heliotrope odorexp.Measured value |
| Taste | Bittersweet tasteexp.Measured value |
| Melting point | 37 ยฐCexp.Measured value |
| Boiling point | 263 ยฐCexp.Measured value |
| Solubility | In water, 3.5 ร 10โบยณ mg/L at 20 ยฐCexp.Measured value |
| Vapour pressure | 1 ร 10โปยฒ mm Hg at 25 ยฐC (extrapolated)exp.Measured value |
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 | 150.13 g/molcalc.Computed value |
|---|---|
| Exact mass | 150.0317 Dacalc.Computed value |
| LogP (octanol/water) | 1.23calc.Computed value |
| Topological polar surface area | 35.53 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 11calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.13calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
c1ccc2c(c1)OCO2
2 rings, 9 atoms, the 1,3-Benzodioxole ring system.
4,560 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H317May cause an allergic skin reaction.
Precautionary statements (8)
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P272Contaminated work clothing should not be allowed out of the workplace.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P302 + P352If on skin: Wash with plenty of water.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P333 + P317If skin irritation or rash occurs: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidPiperonal suppliers
Controlled substance, listings of documented suppliers only, in the documented ranking
Piperonal is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.
Licensed buyers only, every enquiry is reviewed by our compliance team.
Reference: UN Convention against Illicit Traffic 1988 Table I, India NDPS controlled substance, HS 2022 subheading 2932.93 (piperonal)
Our policy on controlled substancesLicensed buyers can post a request for Piperonal with their licence. Our compliance team reviews it before suppliers see it.
Piperonal price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Reported uses (ppm):
Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#1679].
Has been used as pediculicide.
Perfumery, suntan preparations, mosquito repellent, laboratory reagent, flavoring.
In perfumery, in cherry and vanilla flavors, in organic syntheses.
Industrial uses: Flavoring and nutrient, Fragrance.
Consumer uses: Fragrance.
Use classes: Cosmetics.
Industries and functions
Cosmetic ingredient, INCI name HELIOTROPINE(fragrance, perfuming)
Roles
- eukaryotic metabolite
- fragrance
- insect repellent
- insecticide
- metabolite
- pesticide
- plant metabolite
Functional uses
- Deodorizer
- Flavouring and nutrient
- Fragrance
- Softener and conditioner
Cosmetic functions
- Fragrance
- Perfuming
How it is made
Piperonal (3,4-methylenedioxybenzaldehyde) is prepared in 94% yield via ozonolysis and reduction of isosafrole.
By the oxidation of isosafrole with potassium dichromate and sulfuric acid and subsequent steam distillation of piperonal.
Derivation: By oxidation of isosafrole.
Regulatory status
Inventories, regulations and trade controls that list this substance
Piperonal is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.
Licensed buyers only, every enquiry is reviewed by our compliance team.
Reference: UN Convention against Illicit Traffic 1988 Table I, India NDPS controlled substance, HS 2022 subheading 2932.93 (piperonal)
Our policy on controlled substancesHealth and food
- EU cosmetic ingredient inventory
Controls
- US DEA controlled substance or listed chemical
- Drug precursor (UN 1988 Convention)
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Piperonal is traded under.
Heterocyclic compounds: with oxygen hetero-atom(s) only, (other than lactones or compounds containing anโฆ
- United States22.5%
- Germany12.0%
- India * partner reported7.2%
* Partner reported figures, a lower bound.
The HS code shown for Piperonal is indicative (it was matched by name in the HS nomenclature). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Piperonal, based on the data on this page
What is Piperonal?
What is the CAS number of Piperonal?
What is the molecular formula and weight of Piperonal?
What is Piperonal used for?
Is Piperonal hazardous?
What is the HS code of Piperonal?
Can I buy Piperonal on CompoundList?
Guides for buyers
Practical guides that help when you source, ship or handle Piperonal
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, FormulationHow to choose a cosmetic emulsifierA structured way to choose an emulsifier for creams and lotions: emulsion type, HLB and its limits, emulsifier families, formula fit, stability testing and what to ask suppliers.Read
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