3,7-DIMETHYL-1-OCTANOL

3,7-DIMETHYL-1-OCTANOL Basic information
Product Name:3,7-DIMETHYL-1-OCTANOL
Synonyms:(±)-3,7-dimethyl-octan-1-ol;1-Octanol, 3,7-dimethyl-;2,6-Dimethyl-8-octanol;3,7-dimethyl-1-octano;3,7-dimethyloctan-;3,7-dimethyl-octan-1-ol;3,7-Dimethyloctan-1-ol;Citronellol, dihydro-
CAS:106-21-8
MF:C10H22O
MW:158.28
EINECS:203-374-5
Product Categories:Alcohols;C9 to C30;Alphabetical Listings;C-D;Flavors and Fragrances;Oxygen Compounds
Mol File:106-21-8.mol
3,7-DIMETHYL-1-OCTANOL Structure
3,7-DIMETHYL-1-OCTANOL Chemical Properties
Melting point -1.53°C (estimate)
Boiling point 98-99 °C/9 mmHg (lit.)
density 0.828 g/mL at 20 °C (lit.)
vapor density 5.4 (vs air)
vapor pressure <0.01 mm Hg ( 20 °C)
refractive index n20/D 1.436(lit.)
FEMA 2391 | 3,7-DIMETHYL-1-OCTANOL
Fp 203 °F
storage temp. Sealed in dry,Room Temperature
solubility Insoluble in water
pka15.13±0.10(Predicted)
form Liquid
color Clear colorless
Odorat 100.00 %. waxy soapy aldehydic leathery musty citrus green
Odor Typefloral
Water Solubility 64mg/L at 20℃
JECFA Number272
BRN 1719638
LogP3.9 at 35℃
CAS DataBase Reference106-21-8(CAS DataBase Reference)
EPA Substance Registry System1-Octanol, 3,7-dimethyl- (106-21-8)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 23-26-36
RIDADR UN 3082 9 / PGIII
WGK Germany 1
RTECS RH0900000
HS Code 29051990
MSDS Information
ProviderLanguage
SigmaAldrich English
3,7-DIMETHYL-1-OCTANOL Usage And Synthesis
Chemical PropertiesTetrahydrogeraniol has been identified in citrus oils and is a colorless liquid with a waxy, rose-petal-like odor. It is prepared by hydrogenation of geraniol or citronellol in the presence of a nickel catalyst and is a by-product in the synthesis of citronellol from geraniol or nerol. Because of its stability, it is often used to perfume household products.
Chemical Properties3,7-Dimethyl-1-octanol has a sweet, rosy odor and bitter tas
Chemical PropertiesClear colorless liquid
Uses3,7-Dimethyl-1-octanol was employed as medium supplement in the anaerobic enrichment cultures of Pseudomonas citronellolis.2
PreparationUsually prepared by hydrogenation of geraniol, citronellol or citronellal.
Production Methods3,7-Dimethyl-1-octanol is commercially produced by the reduction of geraniol or by the reduction of citronellol, citronellal, or citral. It is used in fragrances and in foods.
Aroma threshold valuesAroma characteristics at 1%: fresh fatty, waxy, soapy, aldehydic citrus with lemon, lime and orange nuances. It has rosy and green woody notes
Taste threshold valuesTaste characteristics at 1 to 10 ppm: fatty, waxy, soapy with floral rosy and fresh citrus-woody nuances. Natural occurrence: Reported found in lemon, lemon peel oil and thyme; corresponds to the dl-form of dihydro-citronellol.
General Description3,7-Dimethyl-1-octanol is an fragrance ingredient and its toxicologic and dermatologic review as a fragrance ingredient was reported.
Flammability and ExplosibilityNonflammable
Safety ProfileModerately toxic by skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
3,7-DIMETHYL-1-OCTANOL Preparation Products And Raw materials
Raw materialsCitronellol-->Geraniol
CORTEXOLONE 5BETA-PREGNANE-3ALPHA,17ALPHA,20ALPHA-TRIOL DL-Menthol Ursodeoxycholic acid Sodium cholate Androstanolone 17-benzoate 20ALPHA-HYDROXYCHOLESTEROL (-)-MENTHOXYACETIC ACID Deoxycorticosterone acetate ALLOTETRAHYDROCORTISOL L-MENTHYL ACETATE Desoxycorticosterone 11-KETOANDROSTERONE CORTISONE 5-ALPHA-PREGNAN-3-ALPHA, 20-ALPHA-DIOL Stanolone Cortisone acetate Taurodeoxycholic acid sodium salt

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