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W268518

Sigma-Aldrich

α-Methylbenzyl alcohol

≥99%, FCC, FG

Synonym(s):

(±)-1-Phenylethanol, (±)-α-Methylbenzyl alcohol, Methyl phenyl carbinol, Styrallyl alcohol, Styrene alcohol

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About This Item

Linear Formula:
C6H5CH(OH)CH3
CAS Number:
98-85-1
Molecular Weight:
122.16
FEMA Number:
2685
Beilstein:
1905149
EC Number:
202-707-1
Council of Europe no.:
2030
MDL number:
MFCD00004508
UNSPSC Code:
12164502
PubChem Substance ID:
24901252
Flavis number:
2.064
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Halal
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor density

4.21 (vs air)

vapor pressure

0.1 mmHg ( 20 °C)

Assay

≥99%

refractive index

n20/D 1.527 (lit.)

bp

204 °C/745 mmHg (lit.)

mp

19-20 °C (lit.)

density

1.012 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

medicinal; chemical; sweet

SMILES string

CC(O)c1ccccc1

InChI

1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3

InChI key

WAPNOHKVXSQRPX-UHFFFAOYSA-N

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Application


  • Update to RIFM fragrance ingredient safety assessment,a-methylbenzyl alcohol, CAS registry number 98-85-1.: This study updates the safety assessment of a-methylbenzyl alcohol, focusing on its use as a fragrance ingredient. The research addresses toxicological data and regulatory compliance, ensuring the compound′s safe application in consumer products (Api et al., 2024).

  • Characterization of the Key Aroma Compounds of Three Kinds of Chinese Representative Black Tea and Elucidation of the Perceptual Interactions of Methyl Salicylate and Floral Odorants.: This study identifies the key aroma compounds in Chinese black tea, including a-methylbenzyl alcohol. The research provides insights into the sensory properties and potential applications in flavor and fragrance industries (Niu et al., 2022).

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 1

Flash Point(F)

187.9 °F - Pensky-Martens closed cup

Flash Point(C)

86.6 °C - Pensky-Martens closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Binbin Zhang et al.
ChemSusChem, 5(12), 2469-2473 (2012-10-24)
Exploration of new and effective routes to conduct organic reactions in water using the special properties of water/organics is of great importance. In this work, we performed the disproportionation of various aromatic alcohols in water and in different organic solvents.
Henry Gruen et al.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 7(11), 1344-1352 (2008-10-30)
The photoreactions of 1-nitro-9,10-anthraquinone (N1) and 2-methyl-1-nitro-9,10-anthraquinone (N2) were studied in benzene and acetonitrile in the presence of 1-phenylethanol. For N2, a short-lived 10 ns transient observed upon flash photolysis is attributed to a triplet state, which can be intercepted
Yoshio Kasashima et al.
Journal of oleo science, 59(11), 607-613 (2010-10-26)
The reactions of alcohols with nitriles under solvent-free conditions, using molecular iodine as a catalyst, were investigated. The reaction of 1-phenylethanol with propanenitrile produced the amide N-(1-phenylethyl)propanamide, by dehydration and tautomerization, in 71% yield, under the following conditions: temperature=90°C, alcohol:iodine
Pedro Lozano et al.
Biotechnology letters, 28(19), 1559-1565 (2006-08-11)
Continuous dynamic kinetic resolution processes in different ionic liquid/supercritical carbon dioxide biphasic systems were carried out by simultaneously using both immobilized Candida antarctica lipase B (Novozym 435) and silica modified with benzenosulfonic acid (SCX) catalysts at 40 degrees C and
Kei Shin-ya et al.
The journal of physical chemistry. A, 111(35), 8598-8605 (2007-08-10)
The absolute configuration and conformation of 1-phenylethanol (1-PhEtOH) have been determined by matrix-isolation infrared (IR) and vibrational circular dichroism (VCD) spectroscopy combined with quantum chemical calculations. Quantum chemical calculations have identified that there are three conformers, namely, I, II, and
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