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Aliphatic and alicyclic building blocks

Pellitorine

Also known as Pellitorin, (E,E)-N-Isobutyl-2,4-decadienamide, N-Isobutyldeca-trans-2,trans-4-dienamide

CAS 18836-52-7Formula C14H25NOMolar mass 223.36 g/molEC 457-600-4
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant 10 suppliers listed
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Pellitorine chemical structure, C14H25NO, CAS 18836-52-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
18836-52-7
Formula
C14H25NO
Molar mass
223.36 g/mol
EC number
457-600-4
HS code
292419
Category
Aliphatic and alicyclic building blocks

What is Pellitorine?

Plain description, key identifiers and synonyms

Pellitorine is a fatty amide. It has a role as a metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
CAS number
18836-52-7 CAS number cross-checkedOther or deprecated CAS: 53608-76-7
EC numbers
457-600-4, 639-620-7
Molecular formula
C14H25NO
UNII
8IS5231171
InChIKey
MAGQQZHFHJDIRE-BNFZFUHLSA-N
InChI
InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+
Canonical SMILES
CCCCCC=CC=CC(=O)NCC(C)C
Isomeric SMILES
CCCCC/C=C/C=C/C(=O)NCC(C)C

Synonyms

  • Pellitorin
  • (E,E)-N-Isobutyl-2,4-decadienamide
  • N-Isobutyldeca-trans-2,trans-4-dienamide
  • N-Isobutyl (E,E)-2,4-decadienamide
  • (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
  • (2E,4E)-N-isobutyldeca-2,4-dienamide
  • (2E,4E)-N-(2-Methylpropyl)-2,4-decadienamide
  • trans-Pellitorine
  • trans-Pellitorin
  • (E,E)-N-(2-Methylpropyl)-2,4-decadienamide
  • 2,4-Decadienamide, N-(2-methylpropyl)-, (2E,4E)-
  • 2,4-Decadienamide, N-isobutyl-, (E,E)-
  • 2,4-Decadienamide, N-(2-methylpropyl)-, (E,E)-
  • (2E,4E)-N-(2-methyl-propyl)-deca-2,4-dienoic acid amide
  • trans-Pellitorin, trans-Pellitorine
  • Optaflow A
  • NA 14:2
  • Pellitorine (Standard)
  • 4-04-00-00636 (Beilstein Handbook Reference)
  • n-isobutyl-2e,4e-decadienamide
  • (2E,4E)-N-Isobutyl Decadienamide
  • Deca-2E,4E-dienoic acid isobutylamide
  • 2E,4E-decadienoic acid-N-isobutylamide
  • N-Isobutyl-2,4-decadienamide, trans,trans-
  • Methylpropyl)-2,4-decadienamide, (E,E)-N-(2-

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
223.36 g/molcalc.
Exact mass
223.1936 Dacalc.
LogP (octanol/water)
3.45calc.
Topological polar surface area
29.1 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
8calc.
Heavy atoms
16calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H301Toxic if swallowed.
  • H315Causes skin irritation.
  • H317May cause an allergic skin reaction.
  • H319Causes serious eye irritation.
Precautionary statements (17)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P405Store locked up.
  • 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 aid

Pellitorine suppliers

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

All 10 suppliers
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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

10 suppliers in 6 countries

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Pellitorine 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.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • metabolite

Functional uses

  • Flavouring and nutrient
  • Fragrance

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 Pellitorine is traded under.

HS 2924.19Indicative HS code

Acyclic amides (including acyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$2.38B
−1.7% vs 2023, imports $2.22B
2019 to 2024
Top exporters
  1. China34.7%
  2. Germany12.5%
  3. India * partner reported6.8%
Top importers
  1. United States17.5%
  2. Germany8.8%
  3. India * partner reported6.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Pellitorine, based on the data on this page

What is Pellitorine?

Pellitorine is a fatty amide. It has a role as a metabolite.

What is the CAS number of Pellitorine?

The CAS registry number of Pellitorine is 18836-52-7. Other or deprecated CAS numbers: 53608-76-7.

What is the molecular formula and weight of Pellitorine?

The molecular formula of Pellitorine is C14H25NO and its molar mass is 223.36 g/mol.

What is Pellitorine used for?

Known uses and roles of Pellitorine include building blocks in research and laboratory, metabolite, flavouring and nutrient and fragrance.

Is Pellitorine hazardous?

Pellitorine carries the GHS signal word "Danger". Main hazards: toxic if swallowed, causes skin irritation, may cause an allergic skin reaction. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pellitorine?

Pellitorine is usually classified under HS code 292419 (Acyclic amides (including acyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pellitorine?

CompoundList lists 10 suppliers of Pellitorine in China, United Kingdom, United States, Czech Republic and 2 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Pellitorine in India?

1 supplier in India list Pellitorine on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Pellitorine?

Suppliers quote Pellitorine 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 Pellitorine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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