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Aromatic building blocks

3-Phenylpropyl cyclohexanepropionate

Also known as 3-phenylpropyl 3-cyclohexylpropanoate, 3-Phenylpropyl cyclohexanepropanoate, 1-Propanol, 3-phenyl-, cyclohexanepropionate

CAS 85204-27-9Formula C18H26O2Molar mass 274.40 g/molEC 286-322-4
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3-Phenylpropyl cyclohexanepropionate chemical structure, C18H26O2, CAS 85204-27-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
85204-27-9
Formula
C18H26O2
Molar mass
274.40 g/mol
EC number
286-322-4
HS code
291620
Category
Aromatic building blocks

What is 3-Phenylpropyl cyclohexanepropionate?

Plain description, key identifiers and synonyms

3-Phenylpropyl cyclohexanepropionate is a chemical substance with the molecular formula C18H26O2 and a molar mass of 274.40 g/mol. Its CAS registry number is 85204-27-9. The IUPAC name is 3-phenylpropyl 3-cyclohexylpropanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-phenylpropyl 3-cyclohexylpropanoate
CAS number
85204-27-9 CAS number cross-checked
EC number
286-322-4
Molecular formula
C18H26O2
UNII
428ZJ4SA35
InChIKey
VECOJECXTIMSPX-UHFFFAOYSA-N
InChI
InChI=1S/C18H26O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2
SMILES (canonical and isomeric)
C1CCC(CC1)CCC(=O)OCCCC2=CC=CC=C2

Synonyms

  • 3-phenylpropyl 3-cyclohexylpropanoate
  • 3-Phenylpropyl cyclohexanepropanoate
  • 1-Propanol, 3-phenyl-, cyclohexanepropionate
  • Cyclohexanepropanoic acid, 3-phenylpropyl ester
  • Cyclohexanepropanoicacid, 3-phenylpropyl ester

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
274.40 g/molcalc.
Exact mass
274.1933 Dacalc.
LogP (octanol/water)
4.52calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
7calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.61calc.
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, O=C(CCC1CCCCC1)OCCCc1ccccc1

O=C(CCC1CCCCC1)OCCCc1ccccc1

2 rings, 20 atoms. This chemical is the scaffold itself.

No other chemical in our database has 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.

3-Phenylpropyl cyclohexanepropionate suppliers

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3-Phenylpropyl cyclohexanepropionate 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 3-Phenylpropyl cyclohexanepropionate is traded under.

HS 2916.20Indicative HS code

Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…

World exports in 2024
$489M
−6.1% vs 2023, imports $608M
2019 to 2024
Top exporters
  1. China45.5%
  2. India * partner reported18.6%
  3. Japan11.2%
Top importers
  1. Brazil20.3%
  2. United States15.7%
  3. India * partner reported12.8%

* Partner reported figures, a lower bound.

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

The HS code shown for 3-Phenylpropyl cyclohexanepropionate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Phenylpropyl cyclohexanepropionate, based on the data on this page

What is 3-Phenylpropyl cyclohexanepropionate?

3-Phenylpropyl cyclohexanepropionate is a chemical substance with the molecular formula C18H26O2 and a molar mass of 274.40 g/mol. Its CAS registry number is 85204-27-9. The IUPAC name is 3-phenylpropyl 3-cyclohexylpropanoate.

What is the CAS number of 3-Phenylpropyl cyclohexanepropionate?

The CAS registry number of 3-Phenylpropyl cyclohexanepropionate is 85204-27-9.

What is the molecular formula and weight of 3-Phenylpropyl cyclohexanepropionate?

The molecular formula of 3-Phenylpropyl cyclohexanepropionate is C18H26O2 and its molar mass is 274.40 g/mol.

What is 3-Phenylpropyl cyclohexanepropionate used for?

Known uses and roles of 3-Phenylpropyl cyclohexanepropionate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3-Phenylpropyl cyclohexanepropionate hazardous?

No GHS hazard classification for 3-Phenylpropyl cyclohexanepropionate 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 3-Phenylpropyl cyclohexanepropionate?

3-Phenylpropyl cyclohexanepropionate is usually classified under HS code 291620 (Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3-Phenylpropyl cyclohexanepropionate?

Post a free request on CompoundList and suppliers of 3-Phenylpropyl cyclohexanepropionate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Phenylpropyl cyclohexanepropionate?

Suppliers quote 3-Phenylpropyl cyclohexanepropionate 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 3-Phenylpropyl cyclohexanepropionate

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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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