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Aromatic building blocks

alpha-Amylcinnamaldehyde, (E)-

Also known as Heptanal, 2-(phenylmethylene)-, (2E)-, trans-Jasminaldehyde, (2E)-2-(Phenylmethylene)heptanal

CAS 78605-96-6Formula C14H18OMolar mass 202.30 g/molEC 215-565-0
GHS signal word: Warning. Pictograms: Harmful or irritant, Hazardous to the environment 2 suppliers listed
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alpha-Amylcinnamaldehyde, (E)- chemical structure, C14H18O, CAS 78605-96-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
78605-96-6
Formula
C14H18O
Molar mass
202.30 g/mol
EC number
215-565-0
HS code
291229
Category
Aromatic building blocks

What is alpha-Amylcinnamaldehyde, (E)-?

Plain description, key identifiers and synonyms

2-pentyl-3-phenyl-2-propenal is a member of cinnamaldehydes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2E)-2-benzylideneheptanal
CAS number
78605-96-6Other or deprecated CAS: 122-40-7, 1331-92-6
EC numbers
215-565-0, 800-696-3
Molecular formula
C14H18O
UNII
86L63D4ZJ7
MDL number
MFCD00006988
InChIKey
HMKKIXGYKWDQSV-SDNWHVSQSA-N
InChI
InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11+
Canonical SMILES
CCCCCC(C=O)=Cc1ccccc1
Isomeric SMILES
CCCCC/C(=C\C1=CC=CC=C1)/C=O

Synonyms

  • Heptanal, 2-(phenylmethylene)-, (2E)-
  • trans-Jasminaldehyde
  • (2E)-2-(Phenylmethylene)heptanal
  • 2-Propenal, 3-phenyl-, monopentyl deriv.
  • trans-3-Phenyl-2-pentylacrolein
  • alpha-amyl trans-cinnamaldehyde
  • alpha-amylcinnamaldehyde, trans-
  • (2E)-2-benzylideneheptanal
  • (E)-2-benzylideneheptanal
  • 2-pentyl-3-phenyl-2-propenal
  • 2-(phenylmethylidene)heptanal
  • a-Amylcinnamaldehyde stabilized with BHT
  • alpha-n-Amylcinnamaldehyde
  • alpha-Amylcinnamaldehyde
  • alpha-Amylcinnamic aldehyde
  • alpha-Pentylcinnamaldehyde
  • alpha-Amyl-beta-phenylacrolein
  • (2E)-2-(phenylmethylidene)heptanal
  • alpha-Amylcinnamicaldehyde
  • (E)-alpha-Amylcinnamaldehyde
  • 2-pentyl-3-phenyl-prop-2-enal
  • alpha-Amylcinnamal 100 microg/mL in Acetonitrile
  • alpha-Amylcinnamal 1000 microg/mL in Acetonitrile

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
202.30 g/molcalc.
Exact mass
202.1358 Dacalc.
LogP (octanol/water)
3.85calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
6calc.
Heavy atoms
15calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.36calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H317May cause an allergic skin reaction.
  • H411Toxic to aquatic life with long lasting effects.
Precautionary statements (10)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P273Avoid release to the environment.
  • 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.
  • P391Collect spillage.
  • 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

alpha-Amylcinnamaldehyde, (E)- suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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alpha-Amylcinnamaldehyde, (E)- price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Functional uses

  • Fragrance

Pharmacology

.alpha.-amylcinnamaldehyde is a Standardized Chemical Allergen. The physiologic effect of .alpha.-amylcinnamaldehyde is by means of Increased Histamine Release and Cell-mediated Immunity.

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Inactive 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 alpha-Amylcinnamaldehyde, (E)- is traded under.

HS 2912.29Indicative HS code

Cyclic aldehydes without other oxygen function, other

World exports in 2024
$435M
+19.0% vs 2023, imports $484M
2019 to 2024
Top exporters
  1. China19.5%
  2. Japan17.4%
  3. India * partner reported13.0%
Top importers
  1. United States22.5%
  2. China9.2%
  3. Singapore8.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about alpha-Amylcinnamaldehyde, (E)-, based on the data on this page

What is alpha-Amylcinnamaldehyde, (E)-?

2-pentyl-3-phenyl-2-propenal is a member of cinnamaldehydes.

Is alpha-Amylcinnamaldehyde, (E)- hazardous?

alpha-Amylcinnamaldehyde, (E)- carries the GHS signal word "Warning". Main hazards: may cause an allergic skin reaction, toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

Guides for buyers

Practical guides that help when you source, ship or handle alpha-Amylcinnamaldehyde, (E)-

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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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