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Synthetic aroma chemicals

3-Hexanone, 5-methyl-5-phenyl-

Also known as 5-Methyl-5-phenylhexan-3-one, 5-Methyl-5-phenyl-3-hexanone, 5-Phenyl-5-methylhexan-3-one

CAS 4927-36-0Formula C13H18OMolar mass 190.29 g/molEC 225-561-0
GHS signal word: Warning. Pictograms: Harmful or irritant
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3-Hexanone, 5-methyl-5-phenyl- chemical structure, C13H18O, CAS 4927-36-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4927-36-0
Formula
C13H18O
Molar mass
190.29 g/mol
EC number
225-561-0
HS code
291439
Category
Synthetic aroma chemicals

What is 3-Hexanone, 5-methyl-5-phenyl-?

Plain description, key identifiers and synonyms

3-Hexanone, 5-methyl-5-phenyl- is a chemical substance with the molecular formula C13H18O and a molar mass of 190.29 g/mol. Its CAS registry number is 4927-36-0. The IUPAC name is 5-methyl-5-phenylhexan-3-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-methyl-5-phenylhexan-3-one
CAS number
4927-36-0 CAS number cross-checked
EC number
225-561-0
Molecular formula
C13H18O
UNII
559W78R3BZ
MDL number
MFCD00778270
INCI name
5-METHYL-5-PHENYL-3-HEXANONE
InChIKey
VEZKFOIEZCNFBT-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O/c1-4-12(14)10-13(2,3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
SMILES (canonical and isomeric)
CCC(=O)CC(C)(C)C1=CC=CC=C1

Synonyms

  • 5-Methyl-5-phenylhexan-3-one
  • 5-Methyl-5-phenyl-3-hexanone
  • 5-Phenyl-5-methylhexan-3-one
  • 5-methyl-5-phenyl-hexan-3-one
  • 2-methyl-2-phenyl-4-hexanone
  • 4-Hexanone, 2-methyl-2-phenyl

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
190.29 g/molcalc.
Exact mass
190.1358 Dacalc.
LogP (octanol/water)
3.33calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
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

Hazard statements

  • H317May cause an allergic skin reaction.
Precautionary statements (8)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • 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.
  • 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

3-Hexanone, 5-methyl-5-phenyl- suppliers

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3-Hexanone, 5-methyl-5-phenyl- 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

Cosmetic ingredient, INCI name 5-METHYL-5-PHENYL-3-HEXANONE(perfuming)

Functional uses

  • Fragrance

Cosmetic functions

  • 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 3-Hexanone, 5-methyl-5-phenyl- is traded under.

HS 2914.39Indicative HS code

Aromatic ketones without other oxygen function, other

World exports in 2024
$207M
−12.1% vs 2023, imports $191M
2019 to 2024
Top exporters
  1. China61.4%
  2. India * partner reported12.4%
  3. Italy7.6%
Top importers
  1. India * partner reported11.9%
  2. Germany9.9%
  3. United States8.7%

* Partner reported figures, a lower bound.

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

The HS code shown for 3-Hexanone, 5-methyl-5-phenyl- is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Hexanone, 5-methyl-5-phenyl-, based on the data on this page

What is 3-Hexanone, 5-methyl-5-phenyl-?

3-Hexanone, 5-methyl-5-phenyl- is a chemical substance with the molecular formula C13H18O and a molar mass of 190.29 g/mol. Its CAS registry number is 4927-36-0. The IUPAC name is 5-methyl-5-phenylhexan-3-one.

What is the CAS number of 3-Hexanone, 5-methyl-5-phenyl-?

The CAS registry number of 3-Hexanone, 5-methyl-5-phenyl- is 4927-36-0.

What is the molecular formula and weight of 3-Hexanone, 5-methyl-5-phenyl-?

The molecular formula of 3-Hexanone, 5-methyl-5-phenyl- is C13H18O and its molar mass is 190.29 g/mol.

What is 3-Hexanone, 5-methyl-5-phenyl- used for?

Known uses and roles of 3-Hexanone, 5-methyl-5-phenyl- include fragrance ingredients in cosmetics and personal care, fragrance ingredients in flavors and fragrances, aldehydes and ketones in flavors and fragrances, perfuming and fragrance.

Is 3-Hexanone, 5-methyl-5-phenyl- hazardous?

3-Hexanone, 5-methyl-5-phenyl- carries the GHS signal word "Warning". Main hazards: may cause an allergic skin reaction. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 3-Hexanone, 5-methyl-5-phenyl-?

3-Hexanone, 5-methyl-5-phenyl- is usually classified under HS code 291439 (Aromatic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3-Hexanone, 5-methyl-5-phenyl-?

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What is the price of 3-Hexanone, 5-methyl-5-phenyl-?

Suppliers quote 3-Hexanone, 5-methyl-5-phenyl- 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-Hexanone, 5-methyl-5-phenyl-

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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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