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(±)-Nerol oxide

(±)-Nerol oxide structure

CAS No:
1786-08-9
Formula:
C10H16O
Chemical Name:
(±)-Nerol oxide
Synonyms:
2H-Pyran,3,6-dihydro-4-methyl-2-(2-methyl-1-propen-1-yl)-;2H-Pyran,3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-;2H-Pyran,3,6-dihydro-4-methyl-2-(2-methylpropenyl)-;3,6-Dihydro-4-methyl-2-(2-methyl-1-propen-1-yl)-2H-pyran;Nerol oxide;(±)-Nerol oxide;3,6-Dihydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran;Isoneroloxide;76985-28-9
Categories:
Cosmetic Ingredient > Perfuming

Description

Colorless liquid; powerful aroma with floral notes

Nerol oxide is a member of the class of pyrans that is 3,6-dihydro-2H-pyran which is substituted at positions 2 and 4 by a 2-methylprop-1-en-1-yl group and a methyl group, respectively. It has a role as a plant metabolite, a flavouring agent and an animal metabolite. It is a member of pyrans, an olefinic compound and a monoterpenoid. It derives from a nerol.

(±)-Nerol oxide Basic Attributes

Molecular Weight：

152.23300

Exact Mass：

152.23

EC Number：

217-241-4

DSSTox ID：

DTXSID6051805

Characteristics

PSA：

9.23000

XLogP3：

2.68780

Density：

0.945g/cm3

Boiling Point：

202.8ºC

Flash Point：

70.8ºC

Refractive Index：

1.523

Water Solubility：

77.23 mg/L @ 25 °C (est)|Insoluble in water; slightly soluble in fat|soluble (in ethanol)

Vapor Pressure：

0.409mmHg at 25°C

Safety Information

GHS Classification：

Not Classified

Drug Information

MeSH Entry Terms：

3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran

(±)-Nerol oxide Use and Manufacturing

Manufacturing Info：

2H-Pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propen-1-yl)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:152.23
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:152.120115130
Monoisotopic Mass:152.120115130
Topological Polar Surface Area:9.2
Heavy Atom Count:11
Complexity:185
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (±)-Nerol oxide

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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