玫瑰醚

Description

(-)-ROSE OXIDE is identified by CAS 16409-43-1, molecular formula C10H18O and molecular weight 154.14 g/mol. UNII 4O51437J50; ChEBI 90075; InChIKey CZCBTSFUTPZVKJ-UHFFFAOYSA-N. Boiling Point: 86.00 °C. @ 20.00 mm Hg; Boiling Point: 182 °C; Solubility: 764 mg/L @ 20 °C (exp).

Identification

CAS Registry Number	16409-43-1
PubChem CID	27866
Molecular formula	C10H18O
Molecular weight	154.14 g/mol
IUPAC name	4-methyl-2-(2-methylprop-1-enyl)oxane
InChIKey	CZCBTSFUTPZVKJ-UHFFFAOYSA-N
UNII (FDA)	4O51437J50
ChEBI ID	CHEBI:90075
FEMA number	3236
JECFA number	1237

Computed Descriptors

Molecular Weight	154.25
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	154.135765193
Monoisotopic Mass	154.135765193
Topological Polar Surface Area	9.2
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	86.00 °C. @ 20.00 mm Hg
Boiling Point	182 °C
Solubility	764 mg/L @ 20 °C (exp)
Density	0.873-0.877
Refractive Index	1.453-1.457

Physical description & handling notes

• Liquid
• colourless mobile liquid, powerful, distinctive geranium top note
• Slightly soluble in water; soluble in oils
• soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	4.9% (87 / 1781)

GHS Hazard Classification

GHS notification summary	4.9% (87 / 1781)
Reported hazard statements	H315 (95.1%), H319 (92.7%), H361 (87.5%)

Documented Uses

• Flavoring Agents -> JECFA Flavorings Index
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Information on 42 consumer products that contain Isobutenyl Methyltetrahydropyran in the following categories is provided:
• All Other Chemical Product and Preparation Manufacturing
• Soap, Cleaning Compound, and Toilet Preparation Manufacturing
• 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-: ACTIVE

Synonyms

16409-43-1; Rose oxide; 4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran; Rosenoxide; Rosoxide; 4-methyl-2-(2-methylprop-1-enyl)oxane; FEMA No. 3236; DTXSID1051771; Tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran; 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-; 4-methyl-2-(2-methylprop-1-en-1-yl)oxane; Pyran, tetrahydro-4-methyl-2-(2-methylpropenyl)-; 2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropenyl)-; 4-Methyl-2-(2-methyl-1-propenyl)tetrahydro-2H-pyran; Tetrahydro-4-methyl-2-(2-methylpropen-1-yl)pyran; DTXCID0030326

Frequently Asked Questions

What are the CAS number and molecular formula of (-)-ROSE OXIDE?

CAS 16409-43-1; molecular formula C10H18O; molecular weight 154.14 g/mol.

What other names is (-)-ROSE OXIDE known by?

16409-43-1, Rose oxide, 4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran, Rosenoxide, Rosoxide, 4-methyl-2-(2-methylprop-1-enyl)oxane.

What is the regulatory status of (-)-ROSE OXIDE?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is (-)-ROSE OXIDE classified as hazardous?

4.9% of GHS notifications report no hazard classification (87 of 1781).

What are the key physical properties of (-)-ROSE OXIDE?

Boiling Point: 86.00 °C. @ 20.00 mm Hg; Boiling Point: 182 °C; Solubility: 764 mg/L @ 20 °C (exp); Density: 0.873-0.877.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.