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CAS

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103694-68-4

2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL, also known as 3-(2,2-Dimethyl-3-hydroxypropyl)toluene, is a synthetic compound that is not found in nature. It is characterized by its fresh floral odor, reminiscent of lily of the valley and linden blossoms. This viscous liquid or crystalline mass has a melting point of 22 °C and a boiling point of 74-76 °C at 0.013 kPa. Its density at 25 °C is 0.960, and its refractive index at 20 °C ranges from 1.515 to 1.518. It is prepared through the reaction of 3-methylbenzyl chloride with 2-methylpropanal in the presence of tetrabutylammonium iodide, followed by the reduction of the resulting aldehyde with NaBH4.

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  • 103694-68-4 Structure

  • Basic information

    1. Product Name: 2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL
    2. Synonyms: 2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL;benzenepropanol,;beta,beta,3-trimethyl-benzenepropano;Benzenepropanol, .beta.,.beta.,3-trimethyl-;3-(2,2-dimethyl-3-hydroxypropyl)toluene(alt.): 2,2-dimethyl-3-(3-methylphenyl)propanol;3-(2,2-dimethyl-3-hydroxypropyl)toluene;2,2-Dimethyl-3-(3-tolyl)propan-1-ol;2,2-DiMethyl-3-(3-Methylphenyl)propan-1-ol
    3. CAS NO:103694-68-4
    4. Molecular Formula: C12H18O
    5. Molecular Weight: 178.27
    6. EINECS: 403-140-4
    7. Product Categories: N/A
    8. Mol File: 103694-68-4.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 277℃
    3. Flash Point: 112℃
    4. Appearance: /
    5. Density: 0.96
    6. Vapor Pressure: 0.00224mmHg at 25°C
    7. Refractive Index: 1.515
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 15.13±0.10(Predicted)
    11. Water Solubility: 265.8mg/L at 25℃
    12. CAS DataBase Reference: 2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL(CAS DataBase Reference)
    13. NIST Chemistry Reference: 2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL(103694-68-4)
    14. EPA Substance Registry System: 2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL(103694-68-4)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 52/53
    3. Safety Statements: 61
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 103694-68-4(Hazardous Substances Data)

103694-68-4 Usage

Uses

Used in Cosmetics:
2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL is used as a fragrance ingredient in the cosmetics industry. It is particularly utilized in layer-by-layer assembled multilayer shells for the encapsulation and controlled release of fragrances, enhancing the sensory experience and longevity of the product.
Used in Perfumery:
In the perfumery industry, 2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL is used as a component in perfume compositions. Its fresh floral scent makes it a valuable addition to toiletries, soaps, and detergents, where it contributes to the overall aroma and appeal of these products.

Flammability and Explosibility

Notclassified

Trade name

Majantol? (Symrise)

Check Digit Verification of cas no

The CAS Registry Mumber 103694-68-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,3,6,9 and 4 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 103694-68:
(8*1)+(7*0)+(6*3)+(5*6)+(4*9)+(3*4)+(2*6)+(1*8)=124
124 % 10 = 4
So 103694-68-4 is a valid CAS Registry Number.
InChI:InChI=1/C12H18O/c1-10-5-4-6-11(7-10)8-12(2,3)9-13/h4-7,13H,8-9H2,1-3H3

103694-68-4 Well-known Company Product Price

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  • Sigma-Aldrich

  • (69791)  β,β,3-Trimethylbenzenepropanol  analytical standard

  • 103694-68-4

  • 69791-250MG

  • 521.82CNY

  • Detail

103694-68-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2-dimethyl-3-(3-methylphenyl)propan-1-ol

1.2 Other means of identification

Product number -
Other names UNII-7S411YY2VY

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:103694-68-4 SDS

103694-68-4Relevant articles and documents

Pro-fragrant ionic liquids with stable hemiacetal motifs: Water-triggered release of fragrances

Gunaratne, H. Q. Nimal,Nockemann, Peter,Seddon, Kenneth R.

, p. 4455 - 4457 (2015)

Stable liquid and solid salts in the form of elusive hemiacetals, appended with fragrant alcohols, have been synthesised as pro-fragrances, and the controlled release of these fragrances, triggered by water, is demonstrated.

Aldehydes, acetals, alcohols and ethers having 3-methyl- or 3,5-dimethyl-benzyl groups, their manufacture and perfume materials containing same

-

, (2008/06/13)

Compounds of the general formula (I) STR1 and compounds of the general formula (II) STR2 in which R1 represents --OH, --CH2 OH, --CH2 --OCH3, --CHOH--CH3, --CHO or --CH(OCH3)2, R

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