Isolongifolanone
Also known as Isolongifolene ketone, Isolongifolanone-parent, 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one
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.Computed value |
|---|---|
| Exact mass | 220.1827 Dacalc.Computed value |
| LogP (octanol/water) | 3.82calc.Computed value |
| Topological polar surface area | 17.07 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 16calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.93calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 3calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
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 aidIsolongifolanone suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, Guangdong ManufacturerUnclaimed profileIsolongifolanoneGrade, purity and minimum order on requestPrice on request
- India, Mumbai ManufacturerUnclaimed profileIsolongifolanoneGrade, purity and minimum order on requestPrice on request
- India, Navi Mumbai ManufacturerUnclaimed profileIsolongifolanoneGrade, purity and minimum order on requestPrice on request
- France, ArgenteuilUnclaimed profileIsolongifolanoneGrade, purity and minimum order on requestPrice on request
- United StatesUnclaimed profileIsolongifolanoneGrade, purity and minimum order on requestPrice on request
- Italy, Vimercate ManufacturerUnclaimed profileIsolongifolanoneGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
6 suppliers in 5 countries
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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.
Industries and functions
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.
Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other
- United States15.7%
- Japan8.7%
- Germany8.7%
* Partner reported figures, a lower bound.
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?
What is the CAS number of Isolongifolanone?
What is the molecular formula and weight of Isolongifolanone?
What is Isolongifolanone used for?
Is Isolongifolanone hazardous?
What is the HS code of Isolongifolanone?
Where can I buy Isolongifolanone?
Where can I buy Isolongifolanone in India?
What is the price of Isolongifolanone?
Guides for buyers
Practical guides that help when you source, ship or handle Isolongifolanone
- Article, FormulationHow to choose a cosmetic emulsifierA structured way to choose an emulsifier for creams and lotions: emulsion type, HLB and its limits, emulsifier families, formula fit, stability testing and what to ask suppliers.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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