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Impurities and reference standards

Cyclandelate impurity 5

Also known as (1S,5S)-3,3,5-trimethylcyclohexyl (S)-2-hydroxy-2-phenylacetate

CAS 79356-86-8Formula C17H24O3Molar mass 276.38 g/mol
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Cyclandelate impurity 5 chemical structure, C17H24O3, CAS 79356-86-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
79356-86-8
Formula
C17H24O3
Molar mass
276.38 g/mol
HS code
291819
Category
Impurities and reference standards

What is Cyclandelate impurity 5?

Plain description, key identifiers and synonyms

Cyclandelate impurity 5 is a chemical substance with the molecular formula C17H24O3 and a molar mass of 276.38 g/mol. Its CAS registry number is 79356-86-8. The IUPAC name is [(1S,5S)-3,3,5-trimethylcyclohexyl] (2S)-2-hydroxy-2-phenylacetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,5S)-3,3,5-trimethylcyclohexyl] (2S)-2-hydroxy-2-phenylacetate
CAS number
79356-86-8
Molecular formula
C17H24O3
InChIKey
WZHCOOQXZCIUNC-SNPRPXQTSA-N
InChI
InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3/t12-,14+,15+/m1/s1
Canonical SMILES
CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1
Isomeric SMILES
C[C@@H]1C[C@@H](CC(C1)(C)C)OC(=O)[C@H](C2=CC=CC=C2)O

Synonyms

  • (1S,5S)-3,3,5-trimethylcyclohexyl (S)-2-hydroxy-2-phenylacetate

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
276.38 g/molcalc.
Exact mass
276.1725 Dacalc.
LogP (octanol/water)
3.48calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
3calc.
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(Cc1ccccc1)OC1CCCCC1

O=C(Cc1ccccc1)OC1CCCCC1

2 rings, 16 atoms, the Benzeneacetic acid, cyclohexyl ester ring system.

20 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.

Cyclandelate impurity 5 suppliers

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Cyclandelate impurity 5 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Cyclandelate impurity 5 is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

The HS code shown for Cyclandelate impurity 5 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cyclandelate impurity 5, based on the data on this page

What is Cyclandelate impurity 5?

Cyclandelate impurity 5 is a chemical substance with the molecular formula C17H24O3 and a molar mass of 276.38 g/mol. Its CAS registry number is 79356-86-8. The IUPAC name is [(1S,5S)-3,3,5-trimethylcyclohexyl] (2S)-2-hydroxy-2-phenylacetate.

What is the CAS number of Cyclandelate impurity 5?

The CAS registry number of Cyclandelate impurity 5 is 79356-86-8.

What is the molecular formula and weight of Cyclandelate impurity 5?

The molecular formula of Cyclandelate impurity 5 is C17H24O3 and its molar mass is 276.38 g/mol.

Is Cyclandelate impurity 5 hazardous?

No GHS hazard classification for Cyclandelate impurity 5 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 Cyclandelate impurity 5?

Cyclandelate impurity 5 is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cyclandelate impurity 5?

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What is the price of Cyclandelate impurity 5?

Suppliers quote Cyclandelate impurity 5 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 Cyclandelate impurity 5

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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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