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2-phenyl propyl alcohol

Chemical Structure

General Material Information

Preferred name 2-phenyl propyl alcohol
Trivial Name 2-Phenyl-1-propanol
Short Description beta-methylphenethyl alcohol
Formula C9 H12 O
CAS Number 1123-85-9
FEMA Number 2732
Flavis Number 2.073
ECHA Number 214-379-7
FDA UNII 27ZYZ88DWU
Nikkaji Number J69.580G
Beilstein Number 1906760
MDL MFCD00004736
COE Number 2257
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1459 beta-methylphenethyl alcohol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1123-85-9 ; BETA-METHYLPHENETHYL ALCOHOL
Synonyms
  • hydratropic alcohol
  • hydratropic alcohol 99
  • hydratropic alcohol coeur
  • hydratropic alcohol white
  • hydratropyl alcohol
  • 1-hydroxy-2-phenyl propane
  • 1-hydroxy-2-phenylpropane
  • beta- methyl benzene ethanol
  • beta- methyl phenethyl alcohol
  • alpha- methyl phenyl ethyl alcohol
  • beta- methyl phenyl ethyl alcohol
  • a- methyl phenylethyl alcohol
  • beta- methylphenethyl alcohol
  • 2-phenyl propan-1-ol
  • 2-phenyl propyl alcohol
  • beta- phenyl propyl alcohol
  • 2-phenyl-1-propanol
  • 2-phenyl-propanol
  • 2-phenylpropan-1-ol
  • 2-phenylpropanol
  • 2-phenylpropyl alcohol
  • propan-1-ol, 2-phenyl-
  • 1-propanol, 2-phenyl-
  • 2-phenylpropan-1-ol
  • Benzeneethanol, β-methyl-
  • Phenethyl alcohol, β-methyl-
  • β-Methylbenzeneethanol
  • β-Phenylpropyl alcohol
  • 2-Phenyl-1-propanol
  • β-Methylphenethyl alcohol
  • 2-Phenylpropyl alcohol
  • 1-Hydroxy-2-phenylpropane
  • 1-Propanol, 2-phenyl-
  • 2-Phenylpropanol
  • (±)-2-Phenyl-1-propanol
  • (±)-β-Methylbenzeneethanol
  • NSC 5232
  • (±)-2-Phenylpropanol
  • (RS)-2-Phenyl-1-propanol

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

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Literature & References

2-phenylpropan-1-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1123-85-9
Pubchem (cid):14295
Pubchem (sid):134980454
Publications by PubMed
Synergism between microwave irradiation and enzyme catalysis in transesterification of ethyl-3-phenylpropanoate with n-butanol.
Characterization and further stabilization of a new anti-prelog specific alcohol dehydrogenase from Thermus thermophilus HB27 for asymmetric reduction of carbonyl compounds.
[Study on enantioselectivity of celluloses derived by phenylcarbamate at 2,3- or 2,3,6-positions].
Water dependent properties of cutinase in nonaqueous solvents: a computational study of enantioselectivity.
Poly(ethylene glycol)-lipase complexes that are highly active and enantioselective in ionic liquids.
Effect of immobilization support, water activity, and enzyme ionization state on cutinase activity and enantioselectivity in organic media.
Interaction between human serum albumin and the felbamate metabolites 4-Hydroxy-5-phenyl-[1,3]oxazinan-2-one and 2-phenylpropenal.
The chemistry, toxicology, and identification in rat and human urine of 4-hydroxy-5-phenyl-1,3-oxazaperhydroin-2-one: a reactive metabolite in felbamate bioactivation.
Active site characteristics of CYP4B1 probed with aromatic ligands.
Lipase-catalyzed hydrolysis of some racemic 1-acetoxy-2-arylpropanes.
Enantioselective metabolism of cumene.
[Cleavage of 2-phenylpropan-1-ol and 2-phenylpropan-2-ol-glucuronide, 2 metabolites of isopropylbenzol (Cumol)].
[FAB (fast atom bombardment)-mass spectrometry. A new study method in the hands of the (forensic) toxicologist].

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31628
FooDB:FDB008269
Export Tariff Code:2906.29.6000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.19383239746
Specific gravity @ 25 °C
Pounds per Gallon 8.296 to 8.363
Specific gravity @ 20 °C
Pounds per Gallon 8.314 to 8.381
Refractive Index 1.524 to 1.529 @ 20 °C
Boiling Point 113 to 114°C @ 14 mm Hg
Boiling Point 110 to 111°C @ 10 mm Hg
Vapor Pressure 0.033 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 1.858 est
Solubility
alcohol Yes
water, 5677 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Balsamic
green, spicy, hyacinth, balsamic, lilac, honeysuckle
Luebke, William tgsc, (1990) At 100.00 %. green spicy hyacinth balsam lilac honeysuckle
Flavor Type: Green
green, cortex, spicy, floral, hyacinth, balsamic, phenolic, rose red rose
Luebke, William tgsc, (1990) Sweet green cortex spicy floral hyacinth balsamic phenolic red rose

Potential Uses

Applications
Odor purposes Honeysuckle, Hyacinth, Lilac
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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:
6 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 2300 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 545, 1975.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 545, 1975.

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 2-phenyl propyl alcohol usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.09 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/day)
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: -0.92000
beverages(nonalcoholic): -1.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.42000
fruit ices: -0.42000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -1.20000
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):

Flavouring Group Evaluation 55 (FGE.55): Consideration of phenyl-substituted aliphatic alcohols and related aldehydes and esters evaluated by JECFA (63rd meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives evaluated by EFSA in FGE.15 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1123-85-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :14295
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-phenylpropan-1-ol
Chemidplus:0001123859
RTECS:SG8590000 for cas# 1123-85-9