13351-61-6

Basic information

• Product Name: 2,2-Dimethyl-3-phenyl-1-propanol
• Synonyms: 2,2-dimethyl-3-phenylpropanol;DIMETHYL PHENYLPROPANOL;2,2-Dimethyl-3-phenyl-1-propanol;Muguet alcohol;Muguetanol;α,α-Dimethyl-3-phenyl propanol;Benzenepropanol, .beta.,.beta.-dimethyl-;MUGUETALKOHOL
• CAS NO: 13351-61-6
• Molecular Formula: C₁₁H₁₆O
• Molecular Weight: 164.24
• EINECS: 236-400-9
• Mol File: 13351-61-6.mol
• Article Data: 11

Chemical Properties

• Melting Point: 34.5°C
• Boiling Point: 251.73°C (rough estimate)
• Flash Point: 109.4°C
• Appearance: /
• Density: 0.9197 (rough estimate)
• Vapor Pressure: 0.00755mmHg at 25°C
• Refractive Index: 1.5000 (estimate)
• PKA: 15.18±0.10(Predicted)
• Water Solubility: 1.49g/L at 20℃
• CAS DataBase Reference: 2,2-Dimethyl-3-phenyl-1-propanol(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-Dimethyl-3-phenyl-1-propanol(13351-61-6)
• EPA Substance Registry System: 2,2-Dimethyl-3-phenyl-1-propanol(13351-61-6)

Safety Data

• Hazardous Substances Data: 13351-61-6(Hazardous Substances Data)

Usage

Description

2,2-Dimethyl-3-phenyl-1-propanol is a colorless liquid with a fine, floral, lily of the valley note. It is stable in nearly all applications and may partly solidify. It is produced in two steps, starting with the alkylation of isobutyraldehyde with benzyl chloride to form 2,2-dimethyl-3-phenyl-1-propanal, which is then reduced to the alcohol.

Uses

Used in Fragrance Industry:
2,2-Dimethyl-3-phenyl-1-propanol is used as a fragrance ingredient for its fine, floral, lily of the valley note. Its stability in nearly all applications makes it suitable for use in a wide range of perfumes and scented products.
Used in Flavor Industry:
2,2-Dimethyl-3-phenyl-1-propanol is used as a flavoring agent to impart a floral and lily of the valley taste to various food and beverage products. Its stability ensures that the flavor profile remains consistent throughout the product's shelf life.
Used in Cosmetics and Personal Care Industry:
2,2-Dimethyl-3-phenyl-1-propanol is used as a scent component in cosmetics and personal care products, such as lotions, creams, and shampoos. Its floral and lily of the valley aroma adds a pleasant scent to these products while maintaining stability and performance.
Used in Aromatherapy:
2,2-Dimethyl-3-phenyl-1-propanol can be used in aromatherapy applications for its calming and soothing properties. The floral and lily of the valley scent may help create a relaxing atmosphere and promote a sense of well-being.

Flammability and Explosibility

Nonflammable

Trade name

Muguet alcohol (Symrise), Lilly alcohol (KalpSutra)

InChI:InChI=1/C11H16O/c1-11(2,9-12)8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3

Upstream product

• 14248-22-7 methyl 2,2-dimethyl-3-phenylpropionate 
• 40548-66-1 2,2-dimethyl-3-phenyl-propionic acid isobutyl ester 
• 100-39-0 benzyl bromide 
• 14478-14-9 1-acetyloxy-2-methylpropene 
• 40548-64-9 3-iodo-2,2-dimethyl-1-phenylpropane 
• 100-58-3 phenylmagnesium bromide 
• 94800-92-7 ethyl 2,2-dimethyl-3-phenylpropionate 
• 64-17-5 ethanol 
• 101518-61-0 2,2-dimethyl-3-phenylpropanamide 
• 502699-23-2 2-(2,2-dimethyl-3-phenyl-propoxy)-tetrahydro-pyran 
• 100-44-7 benzyl chloride 
• 5669-14-7 2,2-dimethyl-3-phenylpropanoic acid 
• 622-95-7 4-chlorobenzyl bromide 

Downstream Products

• 4489-84-3 3-methyl-1-phenylbut-2-ene 
• 40296-93-3 (Z,E)-2-methyl-1-phenylbut-2-ene 
• 40548-64-9 3-iodo-2,2-dimethyl-1-phenylpropane 
• 14248-19-2 2,2-dimethyl-3-phenyl-1-propyl p-toluenesulfonate 
• 1009-62-7 2,2-dimethyl-3-phenylpropionaldehyde 
• 74401-42-6 1-(2,2-Dimethyl-3-phenyl-propoxy)-4-nitro-benzene 
• 27000-77-7 Chlormethyl-(2,2-dimethyl-3-phenyl-propyl)-aether 
• 165406-20-2 1,2-dicyano-4-(2,2-dimethyl-3-phenylpropoxy)benzene 
• 524698-44-0 2,2-dimethyl-3-phenyl-1-propyl p-tert-butylbenzenesulfonate 
• 524698-45-1 2,2-dimethyl-3-phenyl-1-propyl 2,4,6-trimethylbenzenesulfonate 
• 524698-48-4 2,2-dimethyl-3-phenyl-1-propyl 5-(dimethylamino)-1-naphthalenesulfonate 
• 524698-46-2 2,2-dimethyl-3-phenyl-1-propyl p-methoxybenzenesulfonate 
• 524698-47-3 2,2-dimethyl-3-phenyl-1-propyl 2-naphthalenesulfonate 
• 14248-15-8 4-bromo-benzenesulfonic acid 2,2-dimethylpropyl ester 

Relevant articles and documents

Diradicals Photogeneration from Chloroaryl-Substituted Carboxylic Acids

With the aim of generating new, thermally inaccessible diradicals, potentially able to induce a double-strand DNA cleavage, the photochemistry of a set of chloroaryl-substituted carboxylic acids in polar media was investigated. The photoheterolytic cleavage of the Ar?Cl bond occurred in each case to form the corresponding triplet phenyl cations. Under basic conditions, the photorelease of the chloride anion was accompanied by an intramolecular electron-transfer from the carboxylate group to the aromatic radical cationic site to give a diradical species. This latter intermediate could then undergo CO2 loss in a structure-dependent fashion, according to the stability of the resulting diradical, or abstract a hydrogen atom from the medium. In aqueous environment at physiological pH (pH=7.3), both a phenyl cation and a diradical chemistry was observed. The mechanistic scenario and the role of the various intermediates (aryl cations and diradicals) involved in the process was supported by computational analysis.

Metal-Free Enantioselective Oxidative Arylation of Alkenes: Hypervalent-Iodine-Promoted Oxidative C?C Bond Formation

The enantioselective oxyarylation of (E)-6-aryl-1-silyloxylhex-3-ene was achieved using a lactate-based chiral hypervalent iodine(III) reagent in the presence of boron trifluoride diethyl etherate. The silyl ether promotes the oxidative cyclization, and enhances the enantioselectivity. In addition, the corresponding aminoarylation was achieved.

Nickel(0)/NaHMDS adduct-mediated intramolecular alkylation of unactivated arenes via a homolytic aromatic substitution mechanism

A variety of polycycles can be synthesized via an intramolecular alkylation cyclization promoted by Ni(PPh3)4 and NaHMDS. Mechanistic investigations support the catalytic nature of Ni0 in the course of TEMPO scavenging experiments and its association with the substrate and NaHMDS to form an adduct by DOSY NMR.