Linalool, oxide
Basic information
- CAS
1365-19-1- Standard SMILES
C=CC1(C)CCC(C(C)(C)O)O1- InChIKey
BRHDDEIRQPDPMG-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067982
Overview
Linalyl oxide is a member of oxolanes.
Names & identifiers
- Preferred name
- Linalool, oxide
- IUPAC
- 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol
- English name
- Linalool oxide
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
Linalool oxideDTXSID60863673RefChem:472774DTXSID6052746DTXCID30812259215-723-91365-19-14UJJ55KMCSFEMA No. 3746Linalool, epoxydihydro-Linalool, oxide60047-17-8
Show more names
FEMA 3746Linalol oxideLINALOOL OXIDE NATURAL188 ℃1.440～1.4600.935 ～0.950LinalooloxidLinolooloxide
Linalyl oxideEpoxylinalool2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-olLinolool oxide2-(2-Hydroxy-2-propyl)-5-methyl-5-vinyltetrahydrofuranMFCD000535432-Methyl-2-vinyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propan-2-ol
Database identifiers
- CAS
1365-19-1、34995-77-2、5989-33-3、60047-17-8- PubChem CID
- 22310
- DTXSID
DTXSID60863673- ChEMBL
CHEMBL2228375- ChEBI
CHEBI:88534- EC Number
- 215-723-9、252-312-3、262-038-6
- Nikkaji
- J68.900I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
Fragrances
Fragrance Ingredient (2-(Tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol) -> IFRA transparency List
Fragrance Ingredient (Linalool oxide) -> IFRA transparency List
LogP
2.43
2.43
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Boiling Point193.00 to 194.00 °C. @ 760.00 mm Hg
Melting Point128.30 °C. @ 0.00 mm Hg
Physicochemical properties
- Boiling point
- 188 °C · 188°C
- Density
- 0.945 g/mL · 0.945 g/mL at 20 °C(lit.)
- vapor pressure
- 1.58 · 1.58-2.1hPa at 20-25℃
- refractive index
- 20 · n20/D 1.452
- FEMA
- 3746 · 3746 | LINALOOL OXIDE
- Flash point
- 63 °C · 63°C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.1% (2 of 1722) of reports.
Warning
H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1722 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: Linalool oxide
Chemical: 2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-, cis-
Chemical: 2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-
REACH registered substance: 2-(tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol (EC: 262-038-6)
Linalool oxide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Acute Tox. 4 (99.8%)
Safety data
- F
- 10
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- OI7782000
- ridadr
- UN 1760 8 / PGIII
- hs_code
- 2932.19.5100
- risk_code
- 22-34
- Signal word
- Danger
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Household ProductsInformation on 5 consumer products that contain Linalool Dihydroepoxide in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Linalool oxide: ACTIVE
2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-: ACTIVE
Applications
Usesflavors and fragrances
General DescriptionLinalool oxide is a monoterpenoid compound, commonly found in some species of the aromatic plants. It can be obtained from linalool either by oxidation or via biotransfomation using the fungus Aspergillus niger. It is always present as a mixture of both cis and trans forms.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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