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Aromatic building blocks

Sbb003356

Also known as 4-((1Z)-3-oxoprop-1-enyl)-2-methoxyphenyl acetate, [2-methoxy-4-[(Z)-3-oxoprop-1-enyl]phenyl] acetate

CAS 83071-67-4Formula C12H12O4Molar mass 220.22 g/molEC 625-929-4
GHS signal word: Warning. Pictograms: Harmful or irritant
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Sbb003356 chemical structure, C12H12O4, CAS 83071-67-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
83071-67-4
Formula
C12H12O4
Molar mass
220.22 g/mol
EC number
625-929-4
HS code
291539
Category
Aromatic building blocks

What is Sbb003356?

Plain description, key identifiers and synonyms

Sbb003356 is a chemical substance with the molecular formula C12H12O4 and a molar mass of 220.22 g/mol. Its CAS registry number is 83071-67-4. The IUPAC name is [2-methoxy-4-[(Z)-3-oxoprop-1-enyl]phenyl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[2-methoxy-4-[(Z)-3-oxoprop-1-enyl]phenyl] acetate
CAS number
83071-67-4 CAS number cross-checked
EC number
625-929-4
Molecular formula
C12H12O4
InChIKey
VEKAJHBFBMWJKI-ARJAWSKDSA-N
InChI
InChI=1S/C12H12O4/c1-9(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3/b4-3-
Canonical SMILES
COc1cc(C=CC=O)ccc1OC(C)=O
Isomeric SMILES
CC(=O)OC1=C(C=C(C=C1)/C=C\C=O)OC

Synonyms

  • 4-((1Z)-3-oxoprop-1-enyl)-2-methoxyphenyl acetate
  • [2-methoxy-4-[(Z)-3-oxoprop-1-enyl]phenyl] acetate

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
220.22 g/molcalc.
Exact mass
220.0736 Dacalc.
LogP (octanol/water)
1.83calc.
Topological polar surface area
52.6 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
16calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.17calc.
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

Sbb003356 suppliers

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Sbb003356 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 Sbb003356 is traded under.

HS 2915.39Indicative HS code

Esters of acetic acid, other

World exports in 2024
$2.03B
+7.9% vs 2023, imports $1.95B
2019 to 2024
Top exporters
  1. China58.0%
  2. United States7.3%
  3. Germany6.5%
Top importers
  1. Singapore15.6%
  2. South Korea7.2%
  3. Indonesia6.9%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Sbb003356 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sbb003356, based on the data on this page

What is Sbb003356?

Sbb003356 is a chemical substance with the molecular formula C12H12O4 and a molar mass of 220.22 g/mol. Its CAS registry number is 83071-67-4. The IUPAC name is [2-methoxy-4-[(Z)-3-oxoprop-1-enyl]phenyl] acetate.

What is the CAS number of Sbb003356?

The CAS registry number of Sbb003356 is 83071-67-4.

What is the molecular formula and weight of Sbb003356?

The molecular formula of Sbb003356 is C12H12O4 and its molar mass is 220.22 g/mol.

What is Sbb003356 used for?

Known uses and roles of Sbb003356 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Sbb003356 hazardous?

Sbb003356 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 Sbb003356?

Sbb003356 is usually classified under HS code 291539 (Esters of acetic acid, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sbb003356?

Post a free request on CompoundList and suppliers of Sbb003356 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Sbb003356?

Suppliers quote Sbb003356 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 Sbb003356

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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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