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Isolongifolanone chemical structure, C15H24O, CAS 29461-14-1
2D chemical structure

Key facts

What buyers check first

CAS number
29461-14-1
Formula
C15H24O
Molar mass
220.36 g/mol
EC number
245-890-3
HS code
291429
Category
Cosmetic ingredients

What is Isolongifolanone?

Plain description, key identifiers and synonyms

Isolongifolanone has been reported in Artemisia annua.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one
CAS number
29461-14-1Other or deprecated CAS: 23787-90-8, 33407-62-4
EC numbers
245-890-3, 249-649-3, 630-482-3
Molecular formula
C15H24O
UNII
5916QUE93V
INCI name
ISOLONGIFOLENE KETONE EXO
InChIKey
VCOCESNMLNDPLX-BTXGZQJSSA-N
InChI
InChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3/t10-,12?,15-/m0/s1
Canonical SMILES
CC1(C)C2CCC3(C2)C1C(=O)CCC3(C)C
Isomeric SMILES
CC1(CCC(=O)C2[C@@]13CC[C@@H](C3)C2(C)C)C

Synonyms

  • Isolongifolene ketone
  • Isolongifolanone-parent
  • 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one
  • (2S,4aS)-1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one
  • rel-(2S,4aS)-1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one
  • (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one
  • Isolongifolanone- parent
  • Iso-longifolanone
  • 2,2,7,7-Tetramethyltricyclo(6.2.1.0(1,6))-undecan-5-one
  • (1S,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.0^{1,6}]undecan-5-one
  • (2S,4aS)-1,1,5,5-tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-one
  • 2H-2,4a-Methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-, (2alpha,4aalpha,8abeta)-

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
220.36 g/molcalc.
Exact mass
220.1827 Dacalc.
LogP (octanol/water)
3.82calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
16calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.93calc.
Formal charge
0calc.
Stereocentres
3calc.
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, O=C1CCCC23CCC(CC12)C3

O=C1CCCC23CCC(CC12)C3

3 rings, 12 atoms.

8 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
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H315Causes skin irritation.
  • H361Suspected of damaging fertility or the unborn child.
  • H411Toxic to aquatic life with long lasting effects.
Precautionary statements (12)
  • P203Obtain, read and follow all safety instructions before use.
  • P264Wash skin thoroughly after handling.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • 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

Isolongifolanone suppliers

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Isolongifolanone 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

Use classes: Cosmetics.

Cosmetic ingredient, INCI name ISOLONGIFOLENE KETONE EXO(fragrance)

Functional uses

  • Fragrance

Cosmetic functions

  • Fragrance

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isolongifolanone is traded under.

HS 2914.29Indicative HS code

Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other

World exports in 2024
$1B
+6.6% vs 2023, imports $980M
2019 to 2024
Top exporters
  1. China32.5%
  2. India * partner reported12.9%
  3. Germany12.3%
Top importers
  1. United States15.7%
  2. Japan8.7%
  3. Germany8.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Isolongifolanone?

Isolongifolanone has been reported in Artemisia annua.

What is the CAS number of Isolongifolanone?

The CAS registry number of Isolongifolanone is 29461-14-1. Other or deprecated CAS numbers: 23787-90-8, 33407-62-4.

What is the molecular formula and weight of Isolongifolanone?

The molecular formula of Isolongifolanone is C15H24O and its molar mass is 220.36 g/mol.

What is Isolongifolanone used for?

Use classes: Cosmetics.

Is Isolongifolanone hazardous?

Isolongifolanone carries the GHS signal word "Warning". Main hazards: causes skin irritation, suspected of damaging fertility or the unborn child, toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Isolongifolanone?

Isolongifolanone is usually classified under HS code 291429 (Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isolongifolanone?

CompoundList lists 6 suppliers of Isolongifolanone in India, China, France, Italy and 1 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Isolongifolanone in India?

2 suppliers in India list Isolongifolanone on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Isolongifolanone?

Suppliers quote Isolongifolanone 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 Isolongifolanone

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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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