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Screening compounds

Siegesmethyletheric acid

Also known as (1S,4S,5R,9S,10R,13R,14S)-14-(methoxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

CAS 196399-16-3Formula C21H34O3Molar mass 334.50 g/mol
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Siegesmethyletheric acid chemical structure, C21H34O3, CAS 196399-16-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
196399-16-3
Formula
C21H34O3
Molar mass
334.50 g/mol
HS code
291899
Category
Screening compounds

What is Siegesmethyletheric acid?

Plain description, key identifiers and synonyms

Siegesmethyletheric acid is a chemical substance with the molecular formula C21H34O3 and a molar mass of 334.50 g/mol. Its CAS registry number is 196399-16-3. The IUPAC name is (1S,4S,5R,9S,10R,13R,14S)-14-(methoxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,4S,5R,9S,10R,13R,14S)-14-(methoxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CAS number
196399-16-3
Molecular formula
C21H34O3
InChIKey
ZJWVIZJOTTXJSA-VVIZTZINSA-N
InChI
InChI=1S/C21H34O3/c1-19-8-4-9-20(2,18(22)23)16(19)7-10-21-11-14(5-6-17(19)21)15(12-21)13-24-3/h14-17H,4-13H2,1-3H3,(H,22,23)/t14-,15-,16+,17+,19-,20-,21+/m1/s1
Canonical SMILES
COCC1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3
Isomeric SMILES
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@H](C4)COC)(C)C(=O)O

Synonyms

  • (1S,4S,5R,9S,10R,13R,14S)-14-(methoxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

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
334.50 g/molcalc.
Exact mass
334.2508 Dacalc.
LogP (octanol/water)
4.75calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
24calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.95calc.
Formal charge
0calc.
Stereocentres
7calc.
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, C1CCC2C(C1)CCC13CCC(CCC21)C3

C1CCC2C(C1)CCC13CCC(CCC21)C3

4 rings, 16 atoms.

88 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.

Siegesmethyletheric acid suppliers

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Siegesmethyletheric acid 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 Siegesmethyletheric acid is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Siegesmethyletheric acid, based on the data on this page

What is Siegesmethyletheric acid?

Siegesmethyletheric acid is a chemical substance with the molecular formula C21H34O3 and a molar mass of 334.50 g/mol. Its CAS registry number is 196399-16-3. The IUPAC name is (1S,4S,5R,9S,10R,13R,14S)-14-(methoxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.

What is the CAS number of Siegesmethyletheric acid?

The CAS registry number of Siegesmethyletheric acid is 196399-16-3.

What is the molecular formula and weight of Siegesmethyletheric acid?

The molecular formula of Siegesmethyletheric acid is C21H34O3 and its molar mass is 334.50 g/mol.

What is Siegesmethyletheric acid used for?

Known uses and roles of Siegesmethyletheric acid include tackifiers in adhesives and sealants, building blocks in research and laboratory and screening compounds in research and laboratory.

Is Siegesmethyletheric acid hazardous?

No GHS hazard classification for Siegesmethyletheric acid 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 Siegesmethyletheric acid?

Siegesmethyletheric acid is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Siegesmethyletheric acid?

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

What is the price of Siegesmethyletheric acid?

Suppliers quote Siegesmethyletheric acid 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

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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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