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Aromatic building blocks

Vanilol

Also known as 1-(2-Methoxy-4-methoxycarbonyl-1-phenoxy)-3-isopropylamino-2-propanol, 4-(3-(Isopropylamino)-2-hydroxypropoxy)-3-methoxy-benzoic acid methyl ester, Methyl 4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-3-methoxybenzoate

CAS 78100-57-9Formula C15H23NO5Molar mass 297.35 g/mol
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Vanilol chemical structure, C15H23NO5, CAS 78100-57-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
78100-57-9
Formula
C15H23NO5
Molar mass
297.35 g/mol
HS code
292250
Category
Aromatic building blocks

What is Vanilol?

Plain description, key identifiers and synonyms

Vanilol is a chemical substance with the molecular formula C15H23NO5 and a molar mass of 297.35 g/mol. Its CAS registry number is 78100-57-9. The IUPAC name is methyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzoate
CAS number
78100-57-9 CAS number cross-checked
Molecular formula
C15H23NO5
InChIKey
MKDCAESMSRQHIN-UHFFFAOYSA-N
InChI
InChI=1S/C15H23NO5/c1-10(2)16-8-12(17)9-21-13-6-5-11(15(18)20-4)7-14(13)19-3/h5-7,10,12,16-17H,8-9H2,1-4H3
SMILES (canonical and isomeric)
CC(C)NCC(COC1=C(C=C(C=C1)C(=O)OC)OC)O

Synonyms

  • 1-(2-Methoxy-4-methoxycarbonyl-1-phenoxy)-3-isopropylamino-2-propanol
  • 4-(3-(Isopropylamino)-2-hydroxypropoxy)-3-methoxy-benzoic acid methyl ester
  • Methyl 4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-3-methoxybenzoate
  • Benzoic acid, 4-(3-(isopropylamino)-2-hydroxypropoxy)-3-methoxy-, methyl ester

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
297.35 g/molcalc.
Exact mass
297.1576 Dacalc.
LogP (octanol/water)
1.22calc.
Topological polar surface area
77.02 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
8calc.
Heavy atoms
21calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
1calc.
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

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Vanilol suppliers

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Vanilol price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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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 Vanilol is traded under.

HS 2922.50Indicative HS code

Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function

World exports in 2024
$3.29B
−5.9% vs 2023, imports $3.19B
2019 to 2024
Top exporters
  1. China39.2%
  2. United Kingdom27.1%
  3. India * partner reported4.8%
Top importers
  1. United States20.7%
  2. Germany7.6%
  3. Italy6.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Vanilol?

Vanilol is a chemical substance with the molecular formula C15H23NO5 and a molar mass of 297.35 g/mol. Its CAS registry number is 78100-57-9. The IUPAC name is methyl 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzoate.

What is the CAS number of Vanilol?

The CAS registry number of Vanilol is 78100-57-9.

What is the molecular formula and weight of Vanilol?

The molecular formula of Vanilol is C15H23NO5 and its molar mass is 297.35 g/mol.

What is Vanilol used for?

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

Is Vanilol hazardous?

No GHS hazard classification for Vanilol is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Vanilol?

Vanilol is usually classified under HS code 292250 (Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vanilol?

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

What is the price of Vanilol?

Suppliers quote Vanilol 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 Vanilol

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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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