ChemicalBook--->CAS DataBase List--->78-69-3

78-69-3

78-69-3 Structure

78-69-3 Structure
IdentificationMore
[Name]

Tetrahydrolinalool
[CAS]

78-69-3
[Synonyms]

3,7-DIMETHYL-3-OCTANOL
3-OCTANOL, 3,7-DIMETHYL
FEMA 3060
TETRAHYDROLINALOOL
(±)-3,7-dimethyl-octan-3-ol
2,6-Dimethyl-6-octanol
3,7-dimethyl-3-octano
3,7-Dimethyloctan-3-ol
3,7-Dimethyloctanol-3
Linalool tetrahydride
linalooltetrahydride
Tetrahydrolimalool
tetrahydrolinalol
TETRAHYDROLINALOOL 97+% FCC
TETRAHYDROLINALOOL WITH GC
3,7-DIMETHYL-3-OCTANOL, 97+%
[R,(+)]-3,7-Dimethyl-3-octanol
[EINECS(EC#)]

201-133-9
[Molecular Formula]

C10H22O
[MDL Number]

MFCD00004482
[Molecular Weight]

158.28
[MOL File]

78-69-3.mol
Chemical PropertiesBack Directory
[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.
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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 .
[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 .
[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 ProductsBack Directory
[Raw materials]

Linalool-->Ethylmagnesium chloride-->trans-2-Octene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,7-Dimethyl-3-octanol(78-69-3).msds
Hazard InformationBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

Tetrahydrolinalool(78-69-3)MS
Tetrahydrolinalool(78-69-3)1HNMR
Tetrahydrolinalool(78-69-3)13CNMR
Tetrahydrolinalool(78-69-3)IR1
Tetrahydrolinalool(78-69-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,7-Dimethyl-3-octanol, 97+%(78-69-3)
[Sigma Aldrich]

78-69-3(sigmaaldrich)
[TCI AMERICA]

Tetrahydrolinalool,>98.0%(GC)(78-69-3)
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