Linalool oxide, cis-
Also known as cis-Linalool Oxide, Linalool oxide, (Z)-, cis-Linalool 3,6-oxide
Key facts
What buyers check first
- CAS number
- 11063-77-7
- Formula
- C10H18O2
- Molar mass
- 170.25 g/mol
- EC number
- 227-814-0
- HS code
- 293219
- Category
- Synthetic aroma chemicals
What is Linalool oxide, cis-?
Plain description, key identifiers and synonyms
(2R,5S)-linalyl oxide is a monoterpenoid that is 2-(2-hydroxypropan-2-yl)oxolane carying additional methyl and vinyl substituents both located at position 5 (the 2R,5S-diastereomer). It is a monoterpenoid, a tertiary alcohol, a member of oxolanes and an olefinic compound.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
- CAS number
- 11063-77-7Other or deprecated CAS: 34995-77-2, 5989-33-3
- EC numbers
- 227-814-0, 252-312-3
- Molecular formula
- C10H18O2
- UNII
- 2U90CGE5DT
- INCI name
- TRIMETHYL-VINYLTETRAHYDROFURAN-2-METHANOL
- InChIKey
- BRHDDEIRQPDPMG-PSASIEDQSA-N
- InChI
- InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1
- Canonical SMILES
- C=CC1(C)CCC(C(C)(C)O)O1
- Isomeric SMILES
- C[C@]1(CC[C@@H](O1)C(C)(C)O)C=C
Synonyms
- cis-Linalool Oxide
- Linalool oxide, (Z)-
- cis-Linalool 3,6-oxide
- (Z)-Furanoid linalool oxide
- (Z)-Linalool oxide B
- cis-Furan linalool oxide
- cis-f-Linalool oxide
- Epoxydihydrolinalool ii
- Linalool oxide I (cis, furanoid)
- 2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5S)-rel-
- cis-2-Methyl-2-vinyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran
- cis-5-Ethenyltetrahydro-alpha,alpha,5-trimethyl-2-furanmethanol
- 3,7-Dimethyl-1,6-octadien-3-ol epoxy deriv., cis-
- 1,6-Octadien-3-ol, 3,7-dimethyl-, epoxy deriv., cis-
- (+-)-Linalool oxide, (Z)-
- cis-Linalyl Oxide
- 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
- trans-Linalool oxide
- (+/-)-cis-Linalyl oxide
- cis-alpha,alpha,5-Trimethyl-5-vinyltetrahydrofuran-2-methanol
- Linalool oxide B
- cis-linalool oxide (furanoid)
- Z-linalool oxide
- Linalool oxide I
- linalyl oxide cis
Show all 35 synonymsShow fewer synonyms
- (Z)-linalool oxide
- cis-Furanoid
- (2R,5S)-linalyl oxide
- cis-Furanoid linalool oxide
- cis-linalooloxide (furanoid)
- linalool oxide B (cis-THF)
- (+/-)-Linalool oxide, (Z)-
- 5-Ethenyltetrahydro-a,a,5-trimethyl-cis-2-Furanmethanol
- tetrahydro-alpha,alpha,5-trimethyl-5-vinylfurfuryl alcohol
- 5-Ethenyltetrahydro-a,a,5-trimethyl-(2R,5S)-rel-2-Furanmethanol
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 | 170.25 g/molcalc.Computed value |
|---|---|
| Exact mass | 170.1307 Dacalc.Computed value |
| LogP (octanol/water) | 1.88calc.Computed value |
| Topological polar surface area | 29.46 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 12calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.8calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.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
- H302Harmful if swallowed.
- H315Causes skin irritation.
- H319Causes serious eye irritation.
Precautionary statements (13)
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P317If swallowed: Get medical help.
- P302 + P352If on skin: Wash with plenty of water.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- 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 aidLinalool oxide, cis- suppliers
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- Price on request
- India ManufacturerUnclaimed profilecis-Linalool OxideGrade, purity and minimum order on requestPrice on request
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Linalool oxide, cis- 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
Industries and functions
Cosmetic ingredient, INCI name TRIMETHYL-VINYLTETRAHYDROFURAN-2-METHANOL(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
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Linalool oxide, cis- is traded under.
Compounds containing an unfused furan ring (whether or not hydrogenated) in theโฆ
The HS code shown for Linalool oxide, cis- is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Linalool oxide, cis-, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Linalool oxide, cis-
- 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
- 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
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