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    General Material Information
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styralyl alcohol

Chemical Structure

General Material Information

Preferred name styralyl alcohol
Trivial Name 1-Phenylethanol
Short Description alpha-methylbenzyl alcohol
Formula C8 H10 O
CAS Number 98-85-1
FEMA Number 2685
Flavis Number 2.064
ECHA Number 202-707-1
FDA UNII E6O895DQ52
Nikkaji Number J3.224G
Beilstein Number 1905149
MDL MFCD00004508
COE Number 2030
xLogP3-AA 1.40 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 799 alpha-methylbenzyl alcohol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 98-85-1 ; ALPHA-METHYLBENZYL ALCOHOL
Synonyms
  • benzenemethanol, a-methyl-
  • benzyl alcohol, a-methyl-
  • ethanol, 1-phenyl-
  • (1-hydroxyethyl) benzene
  • (1-hydroxyethyl)benzene
  • alpha- methyl benzene methanol
  • alpha- methyl benzyl alcohol
  • methyl phenyl carbinol
  • a- methyl-benzyl alcohol
  • (1)-a- methylbenzyl alcohol
  • a- methylbenzyl alcohol
  • alpha- methylbenzyl alcohol
  • 1-phenethan-1-ol
  • 1-phenethyl alcohol
  • alpha- phenethyl alcohol
  • dL-1-phenethylalcohol
  • 1-phenyl ethan-1-ol
  • 1-phenyl ethanol
  • 1-phenyl ethyl alcohol
  • alpha- phenyl ethyl alcohol
  • 1-phenyl-1-hydoxyethane
  • 1-phenyl-1-hydroxyethane
  • 1-phenylethan-1-ol
  • (±)-1-phenylethanol
  • (rac)- phenylethanol
  • 1-phenylethanol
  • a- phenylethanol
  • (±)-1-phenylethyl alcohol
  • a- phenylethyl alcohol
  • dL-1-phenylethyl alcohol
  • styrallyl alcohol
  • styrallyl alcohol purified
  • Benzenemethanol, α-methyl-
  • Benzyl alcohol, α-methyl-
  • α-Methylbenzenemethanol
  • Methylphenylcarbinol
  • α-Phenethyl alcohol
  • 1-Phenylethanol
  • Phenylmethylcarbinol
  • α-Methylbenzyl alcohol
  • α-Phenylethyl alcohol
  • 1-Phenyl-1-hydroxyethane
  • (1-Hydroxyethyl)benzene
  • α-Phenylethanol
  • 1-Phenethyl alcohol
  • 1-Phenylethyl alcohol
  • 1-Phenyl-1-ethanol
  • sec-Phenethyl alcohol
  • α-Hydroxyethylbenzene
  • DL-Methyl phenyl carbinol
  • (RS)-1-Phenylethanol
  • (±)-1-Phenylethanol
  • DL-α-Phenylethyl alcohol
  • dl-1-Phenylethanol
  • Synthacolin
  • (±)-α-Phenylethanol
  • (±)-α-Methylbenzyl alcohol
  • (±)-1-Phenylethyl alcohol
  • (RS)-α-Phenylethanol
  • (±)-α-Methylbenzenemethanol
  • (±)-α-Phenethyl alcohol
  • (±)-sec-Phenethyl alcohol
  • (RS)-sec-Phenethyl alcohol
  • (±)-sec-Phenylethanol
  • 1-Hydroxy-1-phenylethane
  • α-Methylphenylmethanol
  • NSC 25502
  • 1-Phenylethane-1-ol

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

Leffingwell:Chirality or Article
1-phenylethanol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:98-85-1
Pubchem (cid):7409
Pubchem (sid):134971464
Pherobase:View
Publications by PubMed
Occurrence of Glycosidically Conjugated 1-Phenylethanol and Its Hydrolase β-Primeverosidase in Tea (Camellia sinensis) Flowers.
Forced degradation and impurity profiling: recent trends in analytical perspectives.
[Simultaneous determination of twelve sweeteners and nine preservatives in foods by solid-phase extraction and LC-MS/MS].
Immobilization and Biochemical Properties of the Enantioselective Recombinant NStcI Esterase of Aspergillus nidulans.
A sensitivity-improved enzyme-linked immunosorbent assay for fenvalerate: a new approach for hapten synthesis and application to tea samples.
Comparison of chiral electrophoretic separation methods for phenethylamines and application on impurity analysis.
Enantiomer separation of imidazo-quinazoline-dione derivatives on quinine carbamate-based chiral stationary phase in normal phase mode.
Effects of adlay hull extracts on uterine contraction and Ca2+ mobilization in the rat.
Lorcaserin, a novel selective human 5-hydroxytryptamine2C agonist: in vitro and in vivo pharmacological characterization.
Evaluation of performance of a commercial monoclonal antibody-based fenitrothion immunoassay and application to residual analysis in fruit samples.
New insights into the photoreactivity of the organophosphorus pesticide fenthion: a sigma aryl cation as a key intermediate in the photodecomposition.
Gas chromatographic method for putrescine and cadaverine in shrimp.
Photodecomposition of an acaricide, fenazaquin, in aqueous alcoholic solution.
Enzyme-linked immunosorbent assay for the pyrethroid deltamethrin.
Novel fatty acid esters of p-coumaryl alcohol in epicuticular wax of apple fruit.
Floral Origin Markers of Chestnut and Lime Tree Honeys.
Liquid chromatographic detection of Dowtherm A contamination in oleochemicals and edible oils.
Determination of bromate in bread by capillary gas chromatography with a mass detector (GC/MS).
NTP Toxicology and Carcinogenesis Studies of a-Methylbenzyl Alcohol (CAS No. 98-85-1) in F344/N Rats and B6C3F1 Mice (Gavage Studies).
Esterification of the hydrolysis product of the herbicide dichlorfop-methyl in methanol.
Photochemistry of bioactive compounds. Photodecomposition of 2-(1,3-dioxolane-2-yl)-phenyl-N-methyl carbamate.

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
UM BBD:Search
KEGG (GenomeNet):C07112
HMDB (The Human Metabolome Database):HMDB32619
FooDB:FDB010562
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
grade: fcc

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 122.16690063477
Specific gravity @ 25 °C
Pounds per Gallon 8.396 to 8.437
Refractive Index 1.525 to 1.529 @ 20 °C
Melting Point 19 to 20°C @ 760 mm Hg
Boiling Point 204 to 205°C @ 745 mm Hg
Vapor Pressure 0.139 mmHg @ 25 °C
Vapor Density 4.21
Flash Point TCC Value 85 °C TCC
logP (o/w) 1.409 est
Solubility
fixed oils Yes
glycerin Yes
water, 1.954e+004 mg/L @ 25 °C (est) Yes
water, 1950 mg/L @ 25 °C (exp) Yes
water No
Stability
bath salts Unspecified
cream Unspecified
hair spray Unspecified
lotion Unspecified
non-discoloring in most media Unspecified
powder Unspecified
shampoo Unspecified

Organoleptic Properties

Odor Type: Chemical
fresh, sweet, almond, gardenia, hyacinth, chemical, naphthyl, medicinal, camphoreous
Odor strength medium
Substantivity 8 hour(s) at 100.00 %
Luebke, William tgsc, (1981) At 100.00 %. fresh sweet acetophenone gardenia hyacinth
Mosciano, Gerard P&F 17, No. 4, 33, (1992) Chemical, naphthyl, medicinal, sweet, with a camphoraceous nuance
Flavor Type: Chemical
chemical, medicinal, balsamic, vanilla, woody
Mosciano, Gerard P&F 17, No. 4, 33, (1992) At 50.00 ppm. Chemical, medicinal, with a balsamic vanilla woody nuance

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 38 - Irritating to skin.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
gavage-rat LD50 [sex: M] 400 mg/kg
(Smyth & Carpenter, 1944)

oral-mouse LD50 558 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(11), Pg. 51, 1985.

intravenous-dog LDLo 200 mg/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 15, Pg. 129, 1920.

oral-rat LD50 400 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.

Dermal Toxicity:
skin-guinea pig LD50 > 15 ml/kg
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 695, 1969.

subcutaneous-mouse LD50 250 mg/kg
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for styralyl alcohol usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 27.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 72.00 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -9.00000
beverages(nonalcoholic): -4.60000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -0.30000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.80000
fruit ices: -3.80000
gelatins / puddings: -4.00000
granulated sugar: --
gravies: --
hard candy: -6.80000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21
View page or View pdf

Safety and efficacy of aromatic ketones, secondary alcohols and related esters belonging to chemical group 21 when used as flavourings for all animal species
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting), structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16Rev2
View page or View pdf

EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Carcinogenic Potency Database:Search
EPA GENetic TOXicology:Search
EPA Substance Registry Services (TSCA):98-85-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7409
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2937
WGK Germany:1
1-phenylethanol
Chemidplus:0000098851
EPA/NOAA CAMEO:hazardous materials
RTECS:DO9275000 for cas# 98-85-1