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8016-38-4

Basic Information
CAS No.: 8016-38-4
Name: FEMA 2771
Molecular Structure:
Molecular Structure of 8016-38-4 (FEMA 2771)
Formula: N/A
Molecular Weight: 0.00000
Synonyms: Oils,essential, sour orange neroli; Oils, neroli; Orange-blossom oil; Bitter orange flower oil;Citrus aurantium amaraflower oil; Citrus aurantium flower oil; Neroli oil; Oil of orange blossom; Oil of orange flowers;Orange blossom oil; Orange flower oil; Orange flower water; Sour orange neroli oil
Density: 0.868 g/mL at 25 °C(lit.)
Boiling Point: 163 °C(lit.)
Flash Point: 70 °C
Safety: Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 0.00000
LogP: 0.00000
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Chemistry

Chemistry informtion about Neroli Oil, Tunisian (CAS NO.8016-38-4) is:
IUPAC Name: Methyl 2-aminobenzoate
Synonyms: Nerolibigaradeoil,Tunisian ; Nerolioil,Tunisian ; Oils,Neroli ; Orangeblossomoil ; Orangeflowerconcrete ; Citrus Aurantium ; Fema 2771 ; Sweet Orange Oil
MW: 151.162560 g/mol
MF: C8H9NO2
Flash Point: 70 °C
Boiling Point: 163 °C(lit.) 
Density: 0.868 g/mL at 25 °C(lit.)
FEMA: 2771
Refractive Index: n20/D 1.47(lit.)
Following is the molecular structure:

History

By the end of the 17th century, Anne Marie Orsini, duchess of Bracciano and princess of Nerola, Italy, introduced the essence of bitter orange tree as a fashionable fragrance by using it to perfume her gloves and her bath. Since then, the name of Neroli has been used to describe this essence.[citation needed] Neroli has a refreshing and distinctive, spicy aroma with sweet and flowery notes.

Uses

It is one of the most widely used floral oils in perfumery. It is a non-toxic, non-irritant, non-sensitizing, non-photo-toxic substance. More than 12% of all modern quality perfumes use Neroli Oil, Tunisian (CAS NO.8016-38-4) as their principal ingredient. It blends well with any citrus oil, various floral absolutes, and most of the synthetic components available on the market. Neroli oil is a classic element in fragrance design and one of the most commonly used in the industry. It is also used in flavors (alimentary) where it has a limited use. Neroli oil is also one of the key flavoring ingredients of some cola beverage recipes, such as OpenCola. As an essential oil, used in aromatherapy and massage, Neroli is considered to have a soothing effect on the nervous system.[citation needed] Traditionally, neroli oil was used not only to relieve tension and anxiety, but also in increase circulation. A solution is made by adding three or four drops of the essential oil to one cup of either sweet almond oil or wheat germ oil. If the solution is to be used on children or pregnant women, only half the quantity of essential oil should be used.

Production

The blossoms are gathered, usually by hand, in late April to early May. The oil is produced by water distillation, as the blossom is too fragile to endure steam distillation.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4550mg/kg (4550mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 813, 1976.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
RTECS: QQ0960000

Specification

 Neroli Oil, Tunisian (CAS NO.8016-38-4) is a plant oil similar in scent to bergamot produced from the blossom of the bitter orange tree.It is a clear golden, fluorescent liquid with a very intense and pleasant odor.It can insoluble in water. And it is probably combustible.