ChemicalBook CAS DataBase List 106-21-8

106-21-8

Name	3,7-DIMETHYL-1-OCTANOL
CAS	106-21-8
EINECS(EC#)	203-374-5
Molecular Formula	C10H22O
MDL Number	MFCD00002936
Molecular Weight	158.28
MOL File	106-21-8.mol

Synonyms

3,7-DIMETHYL-1-OCTANOL 3,7-DIMETHYL OCTANOL DIHYDROCITRONENELLOL DIMETHYLOCTANOL FEMA 2391 PELARGOL TETRAHYDROGERANIOL (±)-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- dihydro-citronello Dihydrocitronellol Geraniol tetrahydride Geraniol, perhydro- Geraniol, tetrahydro-

Chemical Properties

Appearance	Clear colorless liquid
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)
FEMA	2391
refractive index	n20/D 1.436(lit.)
Fp	203 °F
storage temp.	Sealed in dry,Room Temperature
solubility	Insoluble[in water]
form	Liquid
pka	15.13±0.10(Predicted)
color	Clear colorless
Odor	at 100.00 %. waxy soapy aldehydic leathery musty citrus green
biological source	synthetic
Odor Type	floral
Water Solubility	64mg/L@20°C
JECFA Number	272
BRN	1719638
Henry's Law Constant	3.3×10^-2 mol/(m³Pa) at 25℃, Yaws (2003)
Cosmetics Ingredients Functions	FRAGRANCE PERFUMING
InChI	1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3
InChIKey	PRNCMAKCNVRZFX-UHFFFAOYSA-N
SMILES	CC(C)CCCC(C)CCO
LogP	3.9 at 35℃
CAS DataBase Reference	106-21-8(CAS DataBase Reference)
EPA Substance Registry System	1-Octanol, 3,7-dimethyl- (106-21-8)

Safety Data

Symbol(GHS)	GHS07,GHS09
Signal word	Warning
Hazard statements	H315-H319-H411
Precautionary statements	P273-P302+P352-P305+P351+P338
Hazard Codes	Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
RIDADR	UN 3082 9 / PGIII
WGK Germany	1
RTECS	RH0900000
TSCA	TSCA listed
REACH Registrations	Active
HS Code	29051990
Storage Class	10 - Combustible liquids
Hazard Classifications	Aquatic Chronic 2 Eye Irrit. 2 Skin Irrit. 2
Safety Profile	Moderately toxic by skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. less more

Raw materials And Preparation Products

Hazard Information

Chemical Properties

3,7-Dimethyl-1-octanol has a sweet, rosy odor and bitter tas

Chemical Properties

Clear colorless liquid

Chemical Properties

Tetrahydrogeraniol 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.

Uses

3,7-Dimethyl-1-octanol was employed as medium supplement in the anaerobic enrichment cultures of Pseudomonas citronellolis.2

Preparation

Usually prepared by hydrogenation of geraniol, citronellol or citronellal.

Production Methods

3,7-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 values

Aroma characteristics at 1%: fresh fatty, waxy, soapy, aldehydic citrus with lemon, lime and orange nuances. It has rosy and green woody notes

Taste threshold values

Taste 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 Description

3,7-Dimethyl-1-octanol is an fragrance ingredient and its toxicologic and dermatologic review as a fragrance ingredient was reported.

Flammability and Explosibility

Nonflammable(100%)

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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