ChemicalBook--->CAS DataBase List--->106-21-8

106-21-8

106-21-8 Structure

106-21-8 Structure
IdentificationMore
[Name]

3,7-DIMETHYL-1-OCTANOL
[CAS]

106-21-8
[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-
[EINECS(EC#)]

203-374-5
[Molecular Formula]

C10H22O
[MDL Number]

MFCD00002936
[Molecular Weight]

158.28
[MOL File]

106-21-8.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
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 .
[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 .
[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.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Citronellol-->Geraniol
Hazard InformationBack Directory
[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 DetailBack Directory
[Spectrum Detail]

3,7-DIMETHYL-1-OCTANOL(106-21-8)MS
3,7-DIMETHYL-1-OCTANOL(106-21-8)1HNMR
3,7-DIMETHYL-1-OCTANOL(106-21-8)13CNMR
3,7-DIMETHYL-1-OCTANOL(106-21-8)IR1
3,7-DIMETHYL-1-OCTANOL(106-21-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,7-Dimethyl-1-octanol,95%(106-21-8)
[Sigma Aldrich]

106-21-8(sigmaaldrich)
[TCI AMERICA]

3,7-Dimethyl-1-octanol,>98.0%(GC)(106-21-8)
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