Basic information
- CAS
37267-80-4- 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
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
- 2-(5-ethenyl-5-methyl-oxolan-2-yl)propan-2-ol
- Molecular formula
- C10H18O2
- Molecular weight
- 0
Names & synonyms
Linalool oxideDTXSID60863673RefChem:472774DTXSID6052746DTXCID30812259215-723-91365-19-14UJJ55KMCSFEMA No. 3746Linalool, epoxydihydro-Linalool, oxide60047-17-8
Show more names
Linalool A oxideEinecs 252-312-3(E)-Linalool oxide aEpoxydihydrolinalool iE-Linalool oxide (furanoid)2-(5-ethenyl-5-methyl-oxolan-2-yl)propan-2-olFurfuryl alcohol, tetrahydro-alpha,alpha,5-trimethyl-5-vinyl-2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, trans-2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5R)-rel-
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
37267-80-4- ChEMBL
CHEMBL2228375
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
Safety & regulation
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-
Status: Active Update: 20-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17676
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%)
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
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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