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Alcohols and polyols

Cyclooctatin

Also known as 1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydro-3,4-dihydroxy-1-hydroxymethyl-4,9a-dimethyl-7-(1-methylethyl)dicyclopenta(a,d)cyclooctene, Dicyclopenta(a,d)cyclooctene-3,4-diol, 1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydro-1-(hydroxymethyl)-4,9a-dimethyl-7-(1-methylethyl)-, (10Z)-4-(hydroxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo(9.3.0.03,7)tetradec-10-ene-6,8-diol

CAS 139552-97-9Formula C20H34O3Molar mass 322.49 g/mol
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Cyclooctatin chemical structure, C20H34O3, CAS 139552-97-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
139552-97-9
Formula
C20H34O3
Molar mass
322.49 g/mol
HS code
290619
Category
Alcohols and polyols

What is Cyclooctatin?

Plain description, key identifiers and synonyms

Cyclooctatin has been reported in Streptomyces albus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(10Z)-4-(hydroxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-ene-6,8-diol
CAS number
139552-97-9
Molecular formula
C20H34O3
InChIKey
MSKFOQCDNOFJAT-SOFYXZRVSA-N
InChI
InChI=1S/C20H34O3/c1-12(2)14-5-7-19(3)10-15-13(11-21)9-17(22)18(15)20(4,23)8-6-16(14)19/h6,12-15,17-18,21-23H,5,7-11H2,1-4H3/b16-6-
Canonical SMILES
CC(C)C1CCC2(C)CC3C(CO)CC(O)C3C(C)(O)CC=C12
Isomeric SMILES
CC(C)C\1CCC2(/C1=C\CC(C3C(CC(C3C2)CO)O)(C)O)C

Synonyms

  • 1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydro-3,4-dihydroxy-1-hydroxymethyl-4,9a-dimethyl-7-(1-methylethyl)dicyclopenta(a,d)cyclooctene
  • Dicyclopenta(a,d)cyclooctene-3,4-diol, 1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydro-1-(hydroxymethyl)-4,9a-dimethyl-7-(1-methylethyl)-
  • (10Z)-4-(hydroxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo(9.3.0.03,7)tetradec-10-ene-6,8-diol
  • (10Z)-4-(hydroxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-ene-6,8-diol
  • hydroxymethyl-isopropyl-dimethyl-[?]diol
  • Dicyclopenta(a,d)cyclooctene-3,4-diol, 1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydro-4,9a-dimethyl-1-(hydroxymethyl)-7-(1-methylethyl)-
  • 1-(Hydroxymethyl)-7-isopropyl-4,9a-dimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cyclooctene-3,4-diol

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
322.49 g/molcalc.
Exact mass
322.2508 Dacalc.
LogP (octanol/water)
3.14calc.
Topological polar surface area
60.69 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
23calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
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, C1=C2CCCC2CC2CCCC2CC1

C1=C2CCCC2CC2CCCC2CC1

3 rings, 14 atoms.

No other chemical in our database has 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.

Cyclooctatin suppliers

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Cyclooctatin 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

Roles

  • bacterial metabolite
  • enzyme inhibitor
  • metabolite
  • prokaryotic metabolite

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 Cyclooctatin is traded under.

HS 2906.19Indicative HS code

Cyclanic, cyclenic or cycloterpenic, other

World exports in 2024
$613M
+18.7% vs 2023, imports $606M
2019 to 2024
Top exporters
  1. China34.2%
  2. India * partner reported10.1%
  3. Germany9.5%
Top importers
  1. United States19.8%
  2. Germany9.0%
  3. India * partner reported8.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Cyclooctatin?

Cyclooctatin has been reported in Streptomyces albus.

What is the CAS number of Cyclooctatin?

The CAS registry number of Cyclooctatin is 139552-97-9.

What is the molecular formula and weight of Cyclooctatin?

The molecular formula of Cyclooctatin is C20H34O3 and its molar mass is 322.49 g/mol.

What is Cyclooctatin used for?

Known uses and roles of Cyclooctatin include bacterial metabolite, enzyme inhibitor, metabolite and prokaryotic metabolite.

Is Cyclooctatin hazardous?

No GHS hazard classification for Cyclooctatin 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 Cyclooctatin?

Cyclooctatin is usually classified under HS code 290619 (Cyclanic, cyclenic or cycloterpenic, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cyclooctatin?

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

What is the price of Cyclooctatin?

Suppliers quote Cyclooctatin 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 Cyclooctatin

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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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