ChemicalBook CAS DataBase List 78-69-3

78-69-3

Name	Tetrahydrolinalool
CAS	78-69-3
EINECS(EC#)	201-133-9
Molecular Formula	C10H22O
MDL Number	MFCD00004482
Molecular Weight	158.28
MOL File	78-69-3.mol

Chemical Properties

Appearance	Clear colorless liquid
Melting point	-1.53°C (estimate)
Boiling point	71-73 °C/6 mmHg (lit.)
density	0.826 g/mL at 25 °C(lit.)
vapor pressure	11.1Pa at 19.6℃
FEMA	3060
refractive index	n20/D 1.434(lit.)
Fp	169 °F
storage temp.	Sealed in dry,Room Temperature
form	Liquid
pka	15.34±0.29(Predicted)
color	Clear colorless
Specific Gravity	0.826
Odor	at 100.00 %. fresh sweet citrus lime floral lily
biological source	synthetic
Odor Type	citrus
Water Solubility	320mg/L at 25℃
JECFA Number	357
Henry's Law Constant	3.7×10^-2 mol/(m³Pa) at 25℃, Yaws (2003)
Major Application	flavors and fragrances
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3
InChIKey	DLHQZZUEERVIGQ-UHFFFAOYSA-N
SMILES	CCC(C)(O)CCCC(C)C
LogP	3.3 at 20℃
Uses	Perfumery, flavoring. less more
CAS DataBase Reference	78-69-3(CAS DataBase Reference)
NIST Chemistry Reference	3,7-Dimethyl-3-octanol(78-69-3)
EPA Substance Registry System	78-69-3(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H315-H319-H335
Precautionary statements	P261-P305+P351+P338
Hazard Codes	Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . R36/38:Irritating to eyes and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . S37/39:Wear suitable gloves and eye/face protection . less more
RIDADR	NA 1993 / PGIII
WGK Germany	1
RTECS	RH0905000
TSCA	TSCA listed
REACH Registrations	Active
HS Code	29051990
Storage Class	10 - Combustible liquids

Raw materials And Preparation Products

Hazard Information

Chemical Properties

Clear colorless liquid

Chemical Properties

Tetrahydrolinalool has a sweet, oily, floral odor (more so than linalool) with a citrus floral taste.

Chemical Properties

Tetrahydrolinalool is a constituent of honey aroma. It is a colorless liquid with a linalool-like odor that is slightly fresher but distinctly weaker than that of linalool. Tetrahydrolinalool is prepared by catalytic hydrogenation of linalool and is used as a substitute for the less stable linalool in perfuming aggressive media.

Occurrence

Reported found in Virginia tobacco.

Definition

ChEBI: A fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in cancer metabolism.

Preparation

By hydrogenation of dl-linalool in the presence of palladium black according to Barbier and Lacquin; also from magnesium ethyl bromide and isoamylketone, or by hydrogenation of 2,6-dimethyl-2-octen-6-ol in the presence of nickel at 100°C; optically active and racemic forms are expected because of the structure of this product.

Aroma threshold values

Aroma characteristics at 1%: floral linalool-like with a fatty citrus rind and tea-like nuance.

Taste threshold values

Taste characteristics at 1 to 15 ppm: clean and fresh, floral, tea-like with citrus and herbal nuances.

General Description

The chlorooxidation of 3,7-dimethyl-3-octanol (tetrahydrolinalool) was studied.

Flammability and Explosibility

Nonflammable

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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