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Synthetic aroma chemicals

4-tert-Pentylcyclohexanone

Also known as 4-tert-Amylcyclohexanone, Cyclohexanone, 4-(1,1-dimethylpropyl)-, 4-(1,1-Dimethylpropyl)cyclohexanone

CAS 16587-71-6Formula C11H20OMolar mass 168.28 g/molEC 240-642-0
GHS signal word: Warning. Pictograms: Harmful or irritant 2 suppliers listed
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4-tert-Pentylcyclohexanone chemical structure, C11H20O, CAS 16587-71-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
16587-71-6
Formula
C11H20O
Molar mass
168.28 g/mol
EC number
240-642-0
HS code
291429
Category
Synthetic aroma chemicals

What is 4-tert-Pentylcyclohexanone?

Plain description, key identifiers and synonyms

4-tert-Pentylcyclohexanone is a chemical substance with the molecular formula C11H20O and a molar mass of 168.28 g/mol. Its CAS registry number is 16587-71-6. The IUPAC name is 4-(2-methylbutan-2-yl)cyclohexan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-(2-methylbutan-2-yl)cyclohexan-1-one
CAS number
16587-71-6 CAS number cross-checked
EC number
240-642-0
Molecular formula
C11H20O
UNII
5380BWU79X
MDL number
MFCD00013798
INCI name
ISOPENTYLCYCLOHEXANONE
InChIKey
DCSKAMGZSIRJAQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3
SMILES (canonical and isomeric)
CCC(C)(C)C1CCC(=O)CC1

Synonyms

  • 4-tert-Amylcyclohexanone
  • Cyclohexanone, 4-(1,1-dimethylpropyl)-
  • 4-(1,1-Dimethylpropyl)cyclohexanone
  • Orivone
  • CYCLOHEXANONE, 4-tert-PENTYL-
  • 4-(tert-Pentyl)-cyclohexanone
  • isopentylcyclohexanone
  • 4-Isopentylcyclohexanone
  • 4-07-00-00096 (Beilstein Handbook Reference)
  • 4-(tert-Pentyl)cyclohexanone
  • 4-(2-methylbutan-2-yl)cyclohexan-1-one
  • p-tert-Amylcyclohexanone
  • 4-tert-pentyl-cyclohexanone
  • Cyclohexanone,1-dimethylpropyl)-
  • Dcskamgzsirjaq-uhfffaoysa-
  • 4-(2-Methyl-sec-butyl)cyclohexanone
  • 4-(2-Methyl-2-butanyl)cyclohexanone
  • 4-(Tert.-pentyl)-cyclohexanone
  • 4-(1,1-dimethylpropyl)cyclohexan-1-one

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
168.28 g/molcalc.
Exact mass
168.1514 Dacalc.
LogP (octanol/water)
3.18calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
2calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.91calc.
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=C1CCCCC1

O=C1CCCCC1

1 ring, 7 atoms, the Cyclohexanone ring system.

2,698 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

Hazard statements

  • H315Causes skin irritation.
Precautionary statements (6)
  • P264Wash skin thoroughly after handling.
  • 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).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.

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

4-tert-Pentylcyclohexanone 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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4-tert-Pentylcyclohexanone price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Cosmetic ingredient, INCI name ISOPENTYLCYCLOHEXANONE(fragrance, perfuming)

Functional uses

  • Deodorizer
  • Fragrance

Cosmetic functions

  • Fragrance
  • Perfuming

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

United States

  • TSCA inventory (USA)
    Status: Active 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 4-tert-Pentylcyclohexanone is traded under.

HS 2914.29Indicative HS code

Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other

World exports in 2024
$1B
+6.6% vs 2023, imports $980M
2019 to 2024
Top exporters
  1. China32.5%
  2. India * partner reported12.9%
  3. Germany12.3%
Top importers
  1. United States15.7%
  2. Japan8.7%
  3. Germany8.7%

* Partner reported figures, a lower bound.

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

The HS code shown for 4-tert-Pentylcyclohexanone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4-tert-Pentylcyclohexanone, based on the data on this page

What is 4-tert-Pentylcyclohexanone?

4-tert-Pentylcyclohexanone is a chemical substance with the molecular formula C11H20O and a molar mass of 168.28 g/mol. Its CAS registry number is 16587-71-6. The IUPAC name is 4-(2-methylbutan-2-yl)cyclohexan-1-one.

What is the CAS number of 4-tert-Pentylcyclohexanone?

The CAS registry number of 4-tert-Pentylcyclohexanone is 16587-71-6.

What is the molecular formula and weight of 4-tert-Pentylcyclohexanone?

The molecular formula of 4-tert-Pentylcyclohexanone is C11H20O and its molar mass is 168.28 g/mol.

What is 4-tert-Pentylcyclohexanone used for?

Known uses and roles of 4-tert-Pentylcyclohexanone include fragrance ingredients in cosmetics and personal care, fragrance ingredients in flavors and fragrances, aldehydes and ketones in flavors and fragrances, fragrance, perfuming and 1 more.

Is 4-tert-Pentylcyclohexanone hazardous?

4-tert-Pentylcyclohexanone carries the GHS signal word "Warning". Main hazards: causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 4-tert-Pentylcyclohexanone?

4-tert-Pentylcyclohexanone is usually classified under HS code 291429 (Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 4-tert-Pentylcyclohexanone?

CompoundList lists 2 suppliers of 4-tert-Pentylcyclohexanone in India and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy 4-tert-Pentylcyclohexanone in India?

1 supplier in India list 4-tert-Pentylcyclohexanone on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of 4-tert-Pentylcyclohexanone?

Suppliers quote 4-tert-Pentylcyclohexanone 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 4-tert-Pentylcyclohexanone

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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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