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Aldehydes and ketones

Isovalerophenone

Also known as Isobutyl phenyl ketone, 3-Methyl-1-phenyl-1-butanone, 1-Butanone, 3-methyl-1-phenyl-

CAS 582-62-7Formula C11H14OMolar mass 162.23 g/molEC 209-489-7
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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Isovalerophenone chemical structure, C11H14O, CAS 582-62-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
582-62-7
Formula
C11H14O
Molar mass
162.23 g/mol
EC number
209-489-7
HS code
291439
Category
Aldehydes and ketones

What is Isovalerophenone?

Plain description, key identifiers and synonyms

3-Methyl-1-phenyl-1-butanone is an aromatic ketone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-methyl-1-phenylbutan-1-one
CAS number
582-62-7 CAS number cross-checked
EC number
209-489-7
Molecular formula
C11H14O
UNII
U263XQR51P
MDL number
MFCD00026486
InChIKey
HEOVGVNITGAUKL-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
SMILES (canonical and isomeric)
CC(C)CC(=O)C1=CC=CC=C1

Synonyms

  • Isobutyl phenyl ketone
  • 3-Methyl-1-phenyl-1-butanone
  • 1-Butanone, 3-methyl-1-phenyl-
  • 1-Phenyl-3-methyl-1-butanone
  • phenyl isobutyl ketone
  • 3-methyl-1-phenylbutan-1-one
  • iso-valerophenone
  • 3-methylbutyrophenone
  • ghl.PD_Mitscher_leg0.493
  • 3-methyl-1-phenyl-butan-1-one
  • Heovgvnitgaukl-uhfffaoysa-
  • Isovalerophenone, >=98.0% (GC)

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
162.23 g/molcalc.
Exact mass
162.1045 Dacalc.
LogP (octanol/water)
2.92calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
3calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.36calc.
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

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • 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

Isovalerophenone suppliers

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Where suppliers are based

1 supplier in 1 country

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Isovalerophenone 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

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Inactive 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 Isovalerophenone 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 Isovalerophenone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isovalerophenone, based on the data on this page

What is Isovalerophenone?

3-Methyl-1-phenyl-1-butanone is an aromatic ketone.

What is the CAS number of Isovalerophenone?

The CAS registry number of Isovalerophenone is 582-62-7.

What is the molecular formula and weight of Isovalerophenone?

The molecular formula of Isovalerophenone is C11H14O and its molar mass is 162.23 g/mol.

What is Isovalerophenone used for?

Known uses and roles of Isovalerophenone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Isovalerophenone hazardous?

Isovalerophenone carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Isovalerophenone?

Isovalerophenone 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 Isovalerophenone?

CompoundList lists 1 supplier of Isovalerophenone in India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Isovalerophenone in India?

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

What is the price of Isovalerophenone?

Suppliers quote Isovalerophenone 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 Isovalerophenone

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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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