Rose oxide
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Rose oxide
structure -
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CAS No:
16409-43-1
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Formula:
C10H18O
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Chemical Name:
Rose oxide
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Synonyms:
2H-Pyran,tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-;2H-Pyran,tetrahydro-4-methyl-2-(2-methylpropenyl)-;2H-Pyran,tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-;Pyran,tetrahydro-4-methyl-2-(2-methylpropenyl)-;Tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-2H-pyran;Rose oxide;Rosoxide;Rosenoxide;Rose oxide L;4-Methyl-2-(2-methyl-1-propenyl)tetrahydro-2H-pyran;Tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran;Tetrahydro-4-methyl-2-(2-methylpropenyl)-2H-pyran;Rose ether;4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran;Rose Oxide 90;2377533-88-3
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CAS No:
Description
Rose Oxide occurs in small quantities, mainly as the levorotatory cis form, in essential oils (e.g., Bulgarian rose oil and geranium oil). Commercial synthetic products are either optically active or inactive mixtures of the cis- and trans-isomers. Their sensory properties depend on the starting material and the method of synthesis.They are colorless liquids with a strong odor reminiscent of geranium and rose oil. Tetrahydro-4-methyl-2-(2-methylpropen-1-yl)pyran has a powerful distinctive
Liquid|colourless mobile liquid, powerful, distinctive geranium top note
Rose oxide is a member of the class of oxanes that is tetrahydro-2H-pyran which is substituted at positions 2 and 4 by an isoprop-1-enyl group and a methyl group, respectively. Organic compound of the pyran class and the monoterpene class and a fragrance found in roses and rose oil. All four possible stereoisomers are known; the 2S,4R and 2S,4S diastereoisomers [also known as the (-)-cis- and (-)-trans-isomers, respectively] are the main constituents in several essential oils and are used as a food flavouring and in perfumes and cosmetics. It has a role as a plant metabolite. It is a monoterpenoid, a member of oxanes and an olefinic compound.
Characteristics
9.2
2.9
0.8753 g/cm3 @ Temp: 20 °C
58 °C @ Press: 12 Torr
157 °F
n 20/D 1.454
764 mg/L @ 20 °C (exp)|Slightly soluble in water; soluble in oils|soluble (in ethanol)
0.551mmHg at 25°C
The acute oral LD 50 value in rats was reported as 4.3 g/kg (3.7-4.9 g/kg) and the acute dermal LD 50 value in rabbits as > 5 g/kg (Moreno, 1973).
Safety Information
NONH for all modes of transport
3
38-36/37/38
36-26
UQ1470000
Xi
P201, P202, P264, P280, P281, P302+P352, P305+P351+P338, P308+P313, P321, P332+P313, P337+P313, P362, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P264, P280, P281, P302+P352, P305+P351+P338, P308+P313, P321, P332+P313, P337+P313, P362, P405, and P501|Aggregated GHS information provided by 1757 companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Rose oxide Use and Manufacturing
Rhodiola is used as raw material, through oxyacetic acid oxidation, dimethylamine compound, hydrogen peroxide oxidation and acid cyclization.
Used as raw materials for perfumes, perfumes and cosmetics
Intermediates
Air care products
All other chemical product and preparation manufacturing|2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:154.25
XLogP3:2.9
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
Complexity:145
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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