Linalyl hexanoate
Also known as Linalyl caproate, Linalyl hexoate, Linalyl capronate
Key facts
What buyers check first
- CAS number
- 7779-23-9
- Formula
- C16H28O2
- Molar mass
- 252.40 g/mol
- EC number
- 231-922-3
- HS code
- 291590
- Category
- Synthetic aroma chemicals
What is Linalyl hexanoate?
Plain description, key identifiers and synonyms
Linalyl hexanoate is a monoterpenoid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3,7-dimethylocta-1,6-dien-3-yl hexanoate
- CAS number
- 7779-23-9 CAS number cross-checked
- EC number
- 231-922-3
- Molecular formula
- C16H28O2
- UNII
- 70M593F8B8
- INCI name
- 1,5-DIMETHYL-1-VINYLHEX-4-ENYL HEXANOATE
- InChIKey
- ALKCLFLTXBBMMP-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H28O2/c1-6-8-9-12-15(17)18-16(5,7-2)13-10-11-14(3)4/h7,11H,2,6,8-10,12-13H2,1,3-5H3
- SMILES (canonical and isomeric)
- CCCCCC(=O)OC(C)(CCC=C(C)C)C=C
Synonyms
- Linalyl caproate
- Linalyl hexoate
- Linalyl capronate
- 3,7-dimethylocta-1,6-dien-3-yl hexanoate
- Hexanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
- 3,7-Dimethyl-1,6-octadien-3-yl hexanoate
- Hexanoic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
- Hexanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
- Linalyl n-hexanoate
- 1,5-Dimethyl-1-vinyl-4-hexenyl hexanoate
- 1,5-Dimethyl-1-vinylhex-4-enyl hexanoate
- 1-Ethenyl-1,5-dimethyl-4-hexenyl hexanoate
- Hexanoic acid,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
- 1,6-Octadien-3-ol, 3,7-dimethyl-, hexanoate
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 | 252.40 g/molcalc.Computed value |
|---|---|
| Exact mass | 252.2089 Dacalc.Computed value |
| LogP (octanol/water) | 4.8calc.Computed value |
| Topological polar surface area | 26.3 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 9calc.Computed value |
| Heavy atoms | 18calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.69calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
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.
Linalyl hexanoate suppliers
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Linalyl hexanoate price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Cosmetic ingredient, INCI name 1,5-DIMETHYL-1-VINYLHEX-4-ENYL HEXANOATE(perfuming)
Functional uses
- Flavouring and nutrient
- Fragrance
Cosmetic functions
- Perfuming
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Linalyl hexanoate is traded under.
Saturated acyclic monocarboxylic acids, anhydrides, halides, peroxides, peroxyacids and halogenated…
- China14.4%
- Netherlands11.7%
- United States11.5%
The HS code shown for Linalyl hexanoate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Linalyl hexanoate, based on the data on this page
What is Linalyl hexanoate?
What is the CAS number of Linalyl hexanoate?
What is the molecular formula and weight of Linalyl hexanoate?
What is Linalyl hexanoate used for?
Is Linalyl hexanoate hazardous?
What is the HS code of Linalyl hexanoate?
Where can I buy Linalyl hexanoate?
What is the price of Linalyl hexanoate?
Guides for buyers
Practical guides that help when you source, ship or handle Linalyl hexanoate
- 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
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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