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Geranium oil structure
Geranium oil structure

Geranium oil

Iupac Name:[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-2-methylbut-2-enoate
CAS No.:8000-46-2
Molecular Weight:236.34986
Introduction: Refer to GERANIUM. View more+
1. Names and Identifiers
1.1 Name
Geranium oil
1.2 Synonyms

(2E)-3,7-Dimethyl-2,6-octadien-1-yl (2E)-2-methyl-2-butenoate 2-Butenoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester, (2E)- Caswell No. 618B exPelargoniumgraveolens exPelargoniumgraveolens,Egypt GERANIUM OIL FROM PELARGONIUM GRAVE- OLENS, NATURAL GERANIUMOIL,ALGERIANTYPE,FCC Geraniumoil,China Geraniumoil-Hixform Geraniumoil-HixformAfrica MFCD00240716

1.3 CAS No.
8000-46-2
1.4 CID
5367785
1.5 EINECS(EC#)
290-140-0
1.6 Molecular Formula
C15H24O2 (isomer)
1.7 Inchi
InChI=1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3/b13-10+,14-6+
1.8 InChkey
OGHBUHJLMHQMHS-KRDNBFTESA-N
1.9 Canonical Smiles
CC=C(C)C(=O)OCC=C(C)CCC=C(C)C
1.10 Isomers Smiles
C/C=C(\C)/C(=O)OC/C=C(\C)/CCC=C(C)C
2. Properties
3.1 Density
0.887
3.1 Boiling point
197℃
3.1 Refractive index
1.464
3.1 Flash Point
229 °F
3.1 Precise Quality
236.177628
3.1 logP
5.73
3.1 Solubility
1ml sample soluble in 3ml of 70% ethanol
3.2 VaporPhaseIRSpectra
Sigma-Aldrich Co. LLC.
3.3 Appearance
Pale yellow to greenish yellow liquid
3.4 Chemical Properties
Geranium rose oil is produced by steam distillation. It has a sweet mint or fruit overtone..
3.5 Water Solubility
Insoluble in water
3.6 StorageTemp
2-8°C
3. Use and Manufacturing
4.1 Safety Profile
A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. Geranium oil Preparation Products And Raw materials Preparation Products
4.2 Usage
Geranium oil Bourbon is a fragrance for use in various perfumes; odorant for tooth and dusting powders, ointments, etc.; tea rose, chypre, Rose bases.
4. Safety and Handling
5.1 Symbol
GHS07
5.1 Hazard Codes
Xi
5.1 Signal Word
Warning
5.1 Risk Statements
R38
5.1 Safety Statements
36-26
5.1 Hazard Declaration
H315-H319
5.1 RIDADR
UN 3082 9 / PGIII
5.1 Caution Statement
P305 + P351 + P338
5.1 WGK Germany
2
5.1 RTECS
LY4055000
5.1 Report

With the CAS Registry Number 8000-46-2, Geranium oil algerian type is also named as?Caswell No. 618B ; EPA Pesticide Chemical Code 597500 ; FEMA No. 2508 ; Geranium absolute ; Geranium concrete ; Geranium oil ; Geranium oil, African (Pelergonium graveloens) ; Geranium oil, Algerian ; Geranium oil, Chinese ; Geranium oil, Grasse ; Geranium oil, Morocco ; Geranium sur roses ; Hyperabsolute geranium ; Oil of geranium ; Pelargonium oil ; Rose geranium oil algerian ; Zdravetz oil (Geranium macrorism) .

The Geranium oil algerian type is colorless or light yellow to brown clear and transparent oil with unique sweet flavor such as roses and geraniol and mint flavor. It is soluble in alcohol, benzyl benzoate, and most vegetable oils, insoluble in glycerol. Geranium oil algerian type is unstable to the acid and some geraniol and citronellol esters will be saponification in the alkaline liquid.

The Geranium oil algerian type is used as flavor. It is mainly used for preparation of tobacco, wine and food flavors. It is one of the important natural spices, and widely used in deployment of perfumes, soaps, cosmetics and other flavors.

The Geranium oil algerian type is obtained by steam distillation of fresh stems, leaves or whole plant of Pelargonium as raw material which is origined in Morocco, Algeria and Reunion Island, and cited the plant in Southwest China and East China. The yield is 0.1% ~ 0.3%.

When heated to decomposition Geranium oil algerian type emits acrid smoke and irritating fumes. It is irritating to skin and eyes. If you want to contact thr product, you must wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

5.2 Safety
Hazard Codes:Xi
Risk Statements:38-36/38
38:Irritating to the skin
36/38:Irritating to eyes and skin
Safety Statements:36-26
36:Wear suitable protective clothing
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany:2
5.3 Specification

With the CAS Registry Number 8000-46-2, Geranium oil algerian type is also named as?Caswell No. 618B ; EPA Pesticide Chemical Code 597500 ; FEMA No. 2508 ; Geranium absolute ; Geranium concrete ; Geranium oil ; Geranium oil, African (Pelergonium graveloens) ; Geranium oil, Algerian ; Geranium oil, Chinese ; Geranium oil, Grasse ; Geranium oil, Morocco ; Geranium sur roses ; Hyperabsolute geranium ; Oil of geranium ; Pelargonium oil ; Rose geranium oil algerian ; Zdravetz oil (Geranium macrorism) .

The Geranium oil algerian type is colorless or light yellow to brown clear and transparent oil with unique sweet flavor such as roses and geraniol and mint flavor. It is soluble in alcohol, benzyl benzoate, and most vegetable oils, insoluble in glycerol. Geranium oil algerian type is unstable to the acid and some geraniol and citronellol esters will be saponification in the alkaline liquid.

The Geranium oil algerian type is used as flavor. It is mainly used for preparation of tobacco, wine and food flavors. It is one of the important natural spices, and widely used in deployment of perfumes, soaps, cosmetics and other flavors.

The Geranium oil algerian type is obtained by steam distillation of fresh stems, leaves or whole plant of Pelargonium as raw material which is origined in Morocco, Algeria and Reunion Island, and cited the plant in Southwest China and East China. The yield is 0.1% ~ 0.3%.

When heated to decomposition Geranium oil algerian type emits acrid smoke and irritating fumes. It is irritating to skin and eyes. If you want to contact thr product, you must wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

5.4 Toxicity
The acute dermal LD50 value in guinea-pigs was reported as > 5 g/kg (Moreno, 1974).
5. Other Information
5.0 Description
Refer to GERANIUM.
5.1 Chemical Properties
Geranium rose oil is produced by steam distillation. It has a sweet mint or fruit overtone..
5.2 Chemical Properties
Réunion geranium oil, also known as Bourbon geranium oil, is obtained by steam distillation of the fresh plants har- vested at the time of initial bloom The oil has a strong, rose-like odor and a characteristic mint-like note Algerian geranium oil is obtained by steam distillation of the leaves prior to their turning yellow and shortly before blossoming It has a rose-like odor The fragrance of Algerian oil is considered superior (less minty) than Réunion oil Moroccan geranium oil is obtained by steam distilla- tion from the freshly cut leaves and stems of P roseum It has a rose-like, herbaceous odor.
5.3 Chemical Properties
The concrete is prepared by petroleum ether extraction of the leaves and stems as used for the distillation of the essen- tial oil Morocco is the largest producer of geranium concrete, a dark-green mass with a strong, herbaceous, slightly rosy odor The absolute is usually a green or dark-green liquid exhibiting an intense, tenacious odor with a rosy undertone..
5.4 Chemical Properties
Geranium oil is obtained by steam distillation of the flowering herb Pelargoniumgraveolens L.Hér. ex Aiton, PelargoniumroseumWilldenow, and other nondefined hybrids that have developed into different ecotypes in different geographical regions. The oil is an amber to greenish-yellow liquid with the characteristic rose-like odor of the plant. Geranium oil is one of themost important natural rawmaterials in the fragrance industry. It shows a broad variety of application possibilities.
5.5 Occurrence
Found in the leaves and stems of Pelargonium roseum wild and allied sorts (P. graveolens Ait and P. graveolens χ P. terebinthaceum) (Fam.: Geraniaceae).
5.6 Uses
Geranium oil Bourbon is a fragrance for use in various perfumes; odorant for tooth and dusting powders, ointments, etc.; tea rose, chypre, Rose bases.
5.7 Uses
geranium oil (Pelargonium sp.) is refreshing, anti-irritant, mildly G tonic, and astringent. Although good for all skin types, it is particularly beneficial for oily and acne skins, and to those with inflammatory tendencies. The cell-regenerating activities claimed for geranium would also make it useful for aged skin. Although the many varieties of geranium-including wild geranium and english geranium-all belong to the same botanical family, their uses may differ. geranium oil is obtained by steam distillation from the entire plant, and is widely used in perfumery and cosmetics.
5.8 Preparation
By steam distillation of the leaves and stems of the fresh plant.
5.9 Essential oil composition
The main constituents of geranium oil Moroccan are geraniol and citronellol
5.10 Safety Profile
A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
6. Computational chemical data
  • Molecular Weight:236.34986g/mol
  • Molecular Formula:C15H24O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.7
  • Exact Mass:236.177630004
  • Monoisotopic Mass:236.177630004
  • Complexity:329
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:2
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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