55066-48-3

Basic information

• Product Name: 1-PENTANOL, 3-METHYL-5-PHENYL
• Synonyms: MEFROSOL;3-METHYL-5-PHENYLPENTANOL;1-PENTANOL, 3-METHYL-5-PHENYL;PHENOXAL;PHENOXANOL;.gamma.-methyl-Benzenepentanol;2-methyl-Benzenepentanol;Benzenepentanol,.gamma.-methyl-
• CAS NO: 55066-48-3
• Molecular Formula: C₁₂H₁₈O
• Molecular Weight: 178.27
• EINECS: 259-461-3
• Mol File: 55066-48-3.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 260 °C at 760 mmHg
• Flash Point: 101.8 °C
• Appearance: colorless clear liquid
• Density: 0.957 g/cm³
• Vapor Pressure: 0.00637mmHg at 25°C
• Refractive Index: 1.511
• PKA: 15.11±0.10(Predicted)
• Water Solubility: 390mg/L at 20℃
• CAS DataBase Reference: 1-PENTANOL, 3-METHYL-5-PHENYL(CAS DataBase Reference)
• NIST Chemistry Reference: 1-PENTANOL, 3-METHYL-5-PHENYL(55066-48-3)
• EPA Substance Registry System: 1-PENTANOL, 3-METHYL-5-PHENYL(55066-48-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 55066-48-3(Hazardous Substances Data)

Usage

Description

1-PENTANOL, 3-METHYL-5-PHENYL is a colorless liquid with a boiling point of 86-91°C at 0.013 kPa, a density of 0.960-0.964 g/mL at 20°C, and a refractive index of 1.511-1.514 at 20°C. It has a long-lasting diffusive, fresh, floral, rose odor. The alcohol is synthesized by hydrogenation of tetrahydro-4-methylene-5-phenylpyran, which is obtained by cyclocondensation of benzaldehyde with 3-methyl-3-buten-1-ol in the presence of p-toluenesulfonic acid.

Uses

Used in Perfumery:
1-PENTANOL, 3-METHYL-5-PHENYL is used as a fragrance ingredient for its fresh, floral, rose odor. It can be used in all perfume types, making it suitable for a wide range of products.
Used in Soaps and Detergents:
1-PENTANOL, 3-METHYL-5-PHENYL is used as an additive in the soap and detergent industry to provide a pleasant and long-lasting floral scent to these products.
Used in Body Care Products:
1-PENTANOL, 3-METHYL-5-PHENYL is also used in the formulation of body care products, such as lotions, creams, and shampoos, to impart a fresh and floral scent, enhancing the overall sensory experience for the user.

Flammability and Explosibility

Nonflammable

Trade name

Phenoxanol? (IFF), Phenylhexanol (Firmenich), Mefrosol (Givaudan).

InChI:InChI=1/C12H18O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3

Upstream product

• 70319-43-6 (Z)-3-methyl-5-phenyl-2-pentenoic acid ethyl ester 
• 60335-71-9 4-Methyl-2-phenyl-3,6-dihydro-2H-pyran 
• 67-63-0 isopropyl alcohol 
• 36805-43-3 ethyl 3-methyl-5-phenylpent-2-enoate 
• 53931-59-2 5-phenyl-1-penten-3-one 
• 100-42-5 styrene 
• 7796-71-6 3-methyl-4-pentenoic acid ethyl ester 
• 16015-12-6 3,4-dihydro-2-phenyl-2H-pyran 
• 2344-70-9 1-phenyl-3-butanol 
• 36805-43-3 ethyl (E)-3-methyl-5-phenylpent-2-enoate 
• 2550-26-7 4-Phenyl-2-butanone 
• 72681-08-4 (E)-3-methyl-5-phenyl-pent-2-en-1-ol 
• 72681-02-8 (Z)-3-Methyl-5-phenyl-2-penten-1-ol 
• 55053-55-9 ethyl 5-phenyl-3-methyl-2-pentanoate 

Downstream Products

• 166521-11-5 (±)-3-methyl-5-phenylpentyl palmitate 
• 186136-45-8 3-methyl-5-phenyl-1-pentanyl chloroacetate 
• 693288-92-5 (5-iodo-3-methylpentyl)benzene 
• 55066-49-4 mefanal 

Relevant articles and documents

Air-Stable PdI Dimer Enabled Remote Functionalization: Access to Fluorinated 1,1-Diaryl Alkanes with Unprecedented Speed

While remote functionalization via chain walking has the potential to enable access to molecules via novel disconnections, such processes require relatively long reaction times and can be in need of elevated temperatures. This work features a remote arylation in less than 10 min reaction time at room temperature over a distance of up to 11 carbons. The unprecedented speed is enabled by the air-stable PdI dimer [Pd(μ-I)(PCy2tBu)]2, which in contrast to its PtBu3 counterpart does not trigger direct coupling at the initiation site, but regioconvergent and chemoselective remote functionalization to yield valuable fluorinated 1,1-diaryl alkanes. Our combined experimental and computational studies rationalize the origins of switchability, which are primarily due to differences in dispersion interactions.

Long-chain α-ω Diols from renewable fatty acids via tandem olefin metathesis-ester hydrogenation

Long chain α-ω diols were readily accessed from renewable fatty acid methyl esters following an orthogonal tandem self-metathesis-ester hydrogenation protocol. By adding a base and a bidentate ligand, the metathesis catalysts were transformed in situ into efficient ester hydrogenation catalysts. The selectivity of the hydrogenation reaction was tuned towards the exclusive formation of either the unsaturated or the saturated diol by modifying the ligand/catalyst ratio. An orthogonal tandem cross-metathesis-ester hydrogenation reaction was also applied for the synthesis of a fragrance compound.

Preparation method of 3-methyl-5-phenyl-amyl alcohol

The invention provides a preparation method of 3-methyl-5-phenyl-amyl alcohol. The preparation method comprises the following steps of phenyl-dihydropyran preparation, wherein the weight ratio of solid acid to 3-methyl-3-butenol is 1:(100-5,000), the weight ratio of xylene to 3-methyl-3-butenol is (0.5-2.0):1.0, and the weight ratio of benzaldehyde to 3-methyl-3-butenol is (1.2-3.0):1.0; a hydrogenation reaction, wherein the hydrogenation reaction is conducted for 1 h to 15 h at the temperature of 45 DEG C to 150 DEG C under the pressure of 0.3 MPa to 2.5 MPa. According to the preparation method, phenyl-dihydropyran is efficiently generated by mainly adopting a vacuum tower type reactor and a negative-pressure cyclization technology; a cocatalyst is added in the hydrogenation reaction, and therefore it is guaranteed that the conversion rate and the selectivity are high, the catalyst is recycled for multiple batches and is low in cost, the yield of the final product is high, and industrialized production can be achieved.