ChemicalBook--->CAS DataBase List--->103694-68-4

103694-68-4

103694-68-4 Structure

103694-68-4 Structure
IdentificationBack Directory
[Name]

2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL
[CAS]

103694-68-4
[Synonyms]

benzenepropanol,
β,β,3-Trimethylbenzenepropanol
",,3-Trimethylbenzenepropanol"
Benzenepropanol, β,β,3-trimethyl-
2,2-DiMethyl-3-(M-tolyl)propan-1-ol
2,2-Dimethyl-3-(3-tolyl)propan-1-ol
beta,beta,3-trimethyl-benzenepropano
3-(2,2-dimethyl-3-hydroxypropyl)toluene
2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL
2,2-DiMethyl-3-(3-Methylphenyl)propan-1-ol
Benzenepropanol, .beta.,.beta.,3-trimethyl-
103694-68-4 Benzenepropanol, β,β,3-trimethyl-
3-(2,2-dimethyl-3-hydroxypropyl)toluene(alt.): 2,2-dimethyl-3-(3-methylphenyl)propanol
[EINECS(EC#)]

403-140-4
[Molecular Formula]

C12H18O
[MDL Number]

MFCD03701092
[MOL File]

103694-68-4.mol
[Molecular Weight]

178.27
Chemical PropertiesBack Directory
[Melting point ]

24°
[Boiling point ]

277℃
[density ]

0.96
[vapor pressure ]

2.8Pa at 20℃
[Fp ]

112℃
[storage temp. ]

2-8°C
[pka]

15.13±0.10(Predicted)
[Appearance]

Colorless to light yellow Liquid
[Odor]

at 100.00 %. floral lily of the valley green tropical
[Odor Type]

floral
[Water Solubility ]

265.8mg/L at 25℃
[Cosmetics Ingredients Functions]

FRAGRANCE
PERFUMING
[InChI]

1S/C12H18O/c1-10-5-4-6-11(7-10)8-12(2,3)9-13/h4-7,13H,8-9H2,1-3H3
[InChIKey]

FYMOBFDUZIDKMI-UHFFFAOYSA-N
[SMILES]

CC1=CC=CC(CC(C)(C)CO)=C1
[LogP]

3.07 at 20℃
[EPA Substance Registry System]

Benzenepropanol, .beta.,.beta.,3-trimethyl- (103694-68-4)
Safety DataBack Directory
[Risk Statements ]

52/53
[Safety Statements ]

61
[WGK Germany ]

WGK 1
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 3
Hazard InformationBack Directory
[Chemical Properties]

2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL is not reported as being found in nature. It is a viscous liquid or crystalline mass, mp 22 °C, bp0.013 kPa 74–76 °C, d25 4 0.960, n20 D 1.515–1.518, with a fresh floral odor, reminiscent of lily of the valley and linden blossoms. It is prepared by reaction of 3-methylbenzyl chloride with 2-methylpropanal in the presence of tetrabutylammonium iodide and reduction of the resulting aldehyde with NaBH4.
It can be used in perfume compositions for toiletries, soaps, and detergents.
[Uses]

3-(2,2-Dimethyl-3-hydroxypropyl)toluene is used for cosmetics via layer-by-layer assembled multilayer shells for encapsulation and release of fragrance.
[Flammability and Explosibility]

Notclassified
[Trade name]

Majantol® (Symrise)
Spectrum DetailBack Directory
[Spectrum Detail]

2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL(103694-68-4)1HNMR
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