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Aromatic building blocks

1-Phenylhexan-3-one

Also known as 1-Phenyl-3-hexanone, 3-Hexanone, 1-phenyl-, 1-phenyl-hexan-3-one

CAS 29898-25-7Formula C12H16OMolar mass 176.26 g/molEC 249-937-9
GHS signal word: Danger. Pictograms: Corrosive, Harmful or irritant
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1-Phenylhexan-3-one chemical structure, C12H16O, CAS 29898-25-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
29898-25-7
Formula
C12H16O
Molar mass
176.26 g/mol
EC number
249-937-9
HS code
291439
Category
Aromatic building blocks

What is 1-Phenylhexan-3-one?

Plain description, key identifiers and synonyms

1-Phenylhexan-3-one is a chemical substance with the molecular formula C12H16O and a molar mass of 176.26 g/mol. Its CAS registry number is 29898-25-7.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-phenylhexan-3-one
CAS number
29898-25-7 CAS number cross-checked
EC number
249-937-9
Molecular formula
C12H16O
MDL number
MFCD00027144
InChIKey
CWWWHACKSNBBMU-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
SMILES (canonical and isomeric)
CCCC(=O)CCC1=CC=CC=C1

Synonyms

  • 1-Phenyl-3-hexanone
  • 3-Hexanone, 1-phenyl-
  • 1-phenyl-hexan-3-one
  • 1-Phenylhexane-3-one
  • b-Phenylethyl propyl ketone
  • 1-Phenylhexanone-3
  • 1-phenyl-3-Cyclohexanone

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
176.26 g/molcalc.
Exact mass
176.1201 Dacalc.
LogP (octanol/water)
2.99calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
5calc.
Heavy atoms
13calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.42calc.
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
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H318Causes serious eye damage.
Precautionary statements (9)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P330Rinse mouth.
  • 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

1-Phenylhexan-3-one suppliers

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1-Phenylhexan-3-one 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 1-Phenylhexan-3-one 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 1-Phenylhexan-3-one is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 1-Phenylhexan-3-one, based on the data on this page

What is 1-Phenylhexan-3-one?

1-Phenylhexan-3-one is a chemical substance with the molecular formula C12H16O and a molar mass of 176.26 g/mol. Its CAS registry number is 29898-25-7.

What is the CAS number of 1-Phenylhexan-3-one?

The CAS registry number of 1-Phenylhexan-3-one is 29898-25-7.

What is the molecular formula and weight of 1-Phenylhexan-3-one?

The molecular formula of 1-Phenylhexan-3-one is C12H16O and its molar mass is 176.26 g/mol.

What is 1-Phenylhexan-3-one used for?

Known uses and roles of 1-Phenylhexan-3-one include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 1-Phenylhexan-3-one hazardous?

1-Phenylhexan-3-one carries the GHS signal word "Danger". Main hazards: harmful if swallowed, causes serious eye damage. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 1-Phenylhexan-3-one?

1-Phenylhexan-3-one 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 1-Phenylhexan-3-one?

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What is the price of 1-Phenylhexan-3-one?

Suppliers quote 1-Phenylhexan-3-one 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 1-Phenylhexan-3-one

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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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