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Heterocyclic building blocks

Isoretronecanol

Also known as 1H-Pyrrolizine-1-methanol, hexahydro-, (1S-trans)-, Isoretronecanol, (-)-, (-)-isoretronecanol

CAS 526-63-6Formula C8H15NOMolar mass 141.21 g/mol
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Isoretronecanol chemical structure, C8H15NO, CAS 526-63-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
526-63-6
Formula
C8H15NO
Molar mass
141.21 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Isoretronecanol?

Plain description, key identifiers and synonyms

Isoretronecanol is a chemical substance with the molecular formula C8H15NO and a molar mass of 141.21 g/mol. Its CAS registry number is 526-63-6. The IUPAC name is [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
CAS number
526-63-6 CAS number cross-checked
Molecular formula
C8H15NO
UNII
661H3381JS
InChIKey
LOFDEIYZIAVXHE-SFYZADRCSA-N
InChI
InChI=1S/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8+/m1/s1
Canonical SMILES
OCC1CCN2CCCC12
Isomeric SMILES
C1C[C@H]2[C@H](CCN2C1)CO

Synonyms

  • 1H-Pyrrolizine-1-methanol, hexahydro-, (1S-trans)-
  • Isoretronecanol, (-)-
  • (-)-isoretronecanol
  • ((1S,7aS)-Hexahydro-1H-pyrrolizin-1-yl)methanol
  • [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
  • [(1S,7aS)-hexahydro-1H-pyrrolizin-1-yl]methanol
  • 9-Hydroxyheliotridane
  • Heliotridane, 9-hydroxy-
  • 1H-Pyrrolizine-1-methanol, hexahydro-, (1S,7aS)-
  • 2,3,5,6,7,7A.alpha.-hexahydro-1H-pyrrolizine-1beta-methanol

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
141.21 g/molcalc.
Exact mass
141.1154 Dacalc.
LogP (octanol/water)
0.46calc.
Topological polar surface area
23.47 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
10calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
2calc.
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, C1CC2CCCN2C1

C1CC2CCCN2C1

2 rings, 8 atoms, the Pyrrolizidine ring system.

386 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.

Isoretronecanol suppliers

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Isoretronecanol 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 Isoretronecanol is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Isoretronecanol?

Isoretronecanol is a chemical substance with the molecular formula C8H15NO and a molar mass of 141.21 g/mol. Its CAS registry number is 526-63-6. The IUPAC name is [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol.

What is the CAS number of Isoretronecanol?

The CAS registry number of Isoretronecanol is 526-63-6.

What is the molecular formula and weight of Isoretronecanol?

The molecular formula of Isoretronecanol is C8H15NO and its molar mass is 141.21 g/mol.

What is Isoretronecanol used for?

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

Is Isoretronecanol hazardous?

No GHS hazard classification for Isoretronecanol 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 Isoretronecanol?

Isoretronecanol is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isoretronecanol?

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

What is the price of Isoretronecanol?

Suppliers quote Isoretronecanol 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 Isoretronecanol

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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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