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Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan

HCID 6436627
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
56058-70-9
Standard SMILES
C/C=C(/C)C1CCC(C)(C)O1
InChIKey
LPEYLSKLVYWOEQ-YVMONPNESA-N
Molecular formula
C10H18O
Average molar mass
154.25 g/mol
Monoisotopic mass
154.13576519

Overview

See also: 2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran (annotation moved to) ... View More ...

Names & identifiers

Preferred name
Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan
IUPAC
5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane
English name
(Z)-tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan
Molecular formula
C10H18O
Molecular weight
154.24932

Names & synonyms

56058-70-99EPP1J4WO9Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (Z)-DTXSID801185615FEMA NO. 3665, Z-Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furanTetrahydro-2,2-dimethyl-5-[(1Z)-1-methyl-1-propen-1-yl]furanRefChem:1099675DTXCID601616939259-975-8Ocimen quintoxide(Z)-Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan
Show more names
Tetrahydro-2,2-dimethyl-5-[(Z)-1-methyl-1-propenyl]furan
2,2-Dimethyl-5-(1-methylpropen-1-yl)tetrahydrofuranOcimene quintoxide2,2-Dimethyl-5-(1-methylpropenyl)tetrhydrofuranTetrahydro-2,2-dimethyl-5-(1-methylpropenyl)furan5-[(2Z)-BUT-2-EN-2-YL]-2,2-DIMETHYLOXOLANEFuran, tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-, (Z)-FEMA No. 3665EINECS 259-975-8

Database identifiers

CAS
56058-70-9、7416-35-5
PubChem CID
6436627
DTXSID
DTXSID801185615

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
168

Experimental & physicochemical properties

Solubilityslightly
Boiling Point60.00 °C. @ 15.00 mm Hg

Physicochemical properties

FDA UNII
9 EPP1J4WO9 · 9EPP1J4WO9
Symbol(GHS)
2 · GHS02
Signal word
Warning
Hazard statements
226 · H226

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 · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: Furan, tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-, (Z)-
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS02
Hazard statements
H226

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Suppliers1 total

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
UNII
9EPP1J4WO9
EC Number
259-975-8
Nikkaji
J296.559C