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Aromatic building blocks

3',5'-Dimethoxyvalerophenone

Also known as 1-(3,5-dimethoxyphenyl)-1-pentanone, 1-(3,5-dimethoxyphenyl)pentan-1-one, 1-(3,5-Dimethoxy-phenyl)-pentan-1-one

CAS 5333-29-9Formula C13H18O3Molar mass 222.28 g/molEC 662-790-9
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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3',5'-Dimethoxyvalerophenone chemical structure, C13H18O3, CAS 5333-29-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5333-29-9
Formula
C13H18O3
Molar mass
222.28 g/mol
EC number
662-790-9
HS code
291450
Category
Aromatic building blocks

What is 3',5'-Dimethoxyvalerophenone?

Plain description, key identifiers and synonyms

3',5'-Dimethoxyvalerophenone is a chemical substance with the molecular formula C13H18O3 and a molar mass of 222.28 g/mol. Its CAS registry number is 5333-29-9. The IUPAC name is 1-(3,5-dimethoxyphenyl)pentan-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(3,5-dimethoxyphenyl)pentan-1-one
CAS number
5333-29-9 CAS number cross-checked
EC number
662-790-9
Molecular formula
C13H18O3
MDL number
MFCD00156681
InChIKey
XAOSSZOACCZAPC-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O3/c1-4-5-6-13(14)10-7-11(15-2)9-12(8-10)16-3/h7-9H,4-6H2,1-3H3
SMILES (canonical and isomeric)
CCCCC(=O)C1=CC(=CC(=C1)OC)OC

Synonyms

  • 1-(3,5-dimethoxyphenyl)-1-pentanone
  • 1-(3,5-dimethoxyphenyl)pentan-1-one
  • 1-(3,5-Dimethoxy-phenyl)-pentan-1-one
  • 3,5-Dimethoxyphenyl butyl ketone

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
222.28 g/molcalc.
Exact mass
222.1256 Dacalc.
LogP (octanol/water)
3.08calc.
Topological polar surface area
35.53 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
16calc.
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

  • H302Harmful if swallowed.
  • H317May cause an allergic skin reaction.
Precautionary statements (12)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • 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',5'-Dimethoxyvalerophenone suppliers

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Where suppliers are based

1 supplier in 1 country

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3',5'-Dimethoxyvalerophenone 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 3',5'-Dimethoxyvalerophenone is traded under.

HS 2914.50Indicative HS code

Ketone-phenols and ketones with other oxygen function

World exports in 2024
$438M
+10.9% vs 2023, imports $420M
2019 to 2024
Top exporters
  1. China50.5%
  2. India * partner reported11.6%
  3. United States11.3%
Top importers
  1. United States20.8%
  2. Germany10.0%
  3. Netherlands8.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about 3',5'-Dimethoxyvalerophenone, based on the data on this page

What is 3',5'-Dimethoxyvalerophenone?

3',5'-Dimethoxyvalerophenone is a chemical substance with the molecular formula C13H18O3 and a molar mass of 222.28 g/mol. Its CAS registry number is 5333-29-9. The IUPAC name is 1-(3,5-dimethoxyphenyl)pentan-1-one.

What is the CAS number of 3',5'-Dimethoxyvalerophenone?

The CAS registry number of 3',5'-Dimethoxyvalerophenone is 5333-29-9.

What is the molecular formula and weight of 3',5'-Dimethoxyvalerophenone?

The molecular formula of 3',5'-Dimethoxyvalerophenone is C13H18O3 and its molar mass is 222.28 g/mol.

What is 3',5'-Dimethoxyvalerophenone used for?

Known uses and roles of 3',5'-Dimethoxyvalerophenone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3',5'-Dimethoxyvalerophenone hazardous?

3',5'-Dimethoxyvalerophenone carries the GHS signal word "Warning". Main hazards: harmful if swallowed, 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',5'-Dimethoxyvalerophenone?

3',5'-Dimethoxyvalerophenone is usually classified under HS code 291450 (Ketone-phenols and ketones with other oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3',5'-Dimethoxyvalerophenone?

CompoundList lists 1 supplier of 3',5'-Dimethoxyvalerophenone in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 3',5'-Dimethoxyvalerophenone?

Suppliers quote 3',5'-Dimethoxyvalerophenone 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',5'-Dimethoxyvalerophenone

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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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