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Aromatic building blocks

Hexylcaffeate

Also known as hexyl caffeate, (E)-Caffeic acid n-hexyl ester, Hexyl (E)-3-(3,4-dihydroxyphenyl)acrylate

CAS 142234-82-0Formula C15H20O4Molar mass 264.32 g/mol
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Hexylcaffeate chemical structure, C15H20O4, CAS 142234-82-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
142234-82-0
Formula
C15H20O4
Molar mass
264.32 g/mol
HS code
291829
Category
Aromatic building blocks

What is Hexylcaffeate?

Plain description, key identifiers and synonyms

Hexylcaffeate is a chemical substance with the molecular formula C15H20O4 and a molar mass of 264.32 g/mol. Its CAS registry number is 142234-82-0. The IUPAC name is hexyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
hexyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS number
142234-82-0
Molecular formula
C15H20O4
InChIKey
NNQZIMJGJLIECD-VQHVLOKHSA-N
InChI
InChI=1S/C15H20O4/c1-2-3-4-5-10-19-15(18)9-7-12-6-8-13(16)14(17)11-12/h6-9,11,16-17H,2-5,10H2,1H3/b9-7+
Canonical SMILES
CCCCCCOC(=O)C=Cc1ccc(O)c(O)c1
Isomeric SMILES
CCCCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)O

Synonyms

  • hexyl caffeate
  • (E)-Caffeic acid n-hexyl ester
  • Hexyl (E)-3-(3,4-dihydroxyphenyl)acrylate
  • hexyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • Hexyl (2E)-3-(3,4-dihydroxyphenyl)-2-propenoate
  • Hexyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • Hexyl 1-(3'''',4''''-Dihydroxyphenyl)Propenate

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
264.32 g/molcalc.
Exact mass
264.1362 Dacalc.
LogP (octanol/water)
3.23calc.
Topological polar surface area
66.76 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
19calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.4calc.
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

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.

Hexylcaffeate suppliers

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Hexylcaffeate 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

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 Hexylcaffeate is traded under.

HS 2918.29Indicative HS code

Carboxylic acids, (with phenol function but without other oxygen function), their anhydrides, halides…

World exports in 2024
$861M
+0.9% vs 2023, imports $892M
2019 to 2024
Top exporters
  1. China30.5%
  2. South Korea18.3%
  3. Switzerland * partner reported13.3%
Top importers
  1. United States14.7%
  2. Germany13.3%
  3. Japan10.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Hexylcaffeate?

Hexylcaffeate is a chemical substance with the molecular formula C15H20O4 and a molar mass of 264.32 g/mol. Its CAS registry number is 142234-82-0. The IUPAC name is hexyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.

What is the CAS number of Hexylcaffeate?

The CAS registry number of Hexylcaffeate is 142234-82-0.

What is the molecular formula and weight of Hexylcaffeate?

The molecular formula of Hexylcaffeate is C15H20O4 and its molar mass is 264.32 g/mol.

What is Hexylcaffeate used for?

Known uses and roles of Hexylcaffeate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Hexylcaffeate hazardous?

No GHS hazard classification for Hexylcaffeate 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 Hexylcaffeate?

Hexylcaffeate is usually classified under HS code 291829 (Carboxylic acids with phenol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hexylcaffeate?

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

What is the price of Hexylcaffeate?

Suppliers quote Hexylcaffeate 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 Hexylcaffeate

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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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