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    General Material Information
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styralyl propionate

General Material Information

Preferred name styralyl propionate
Trivial Name 1-phenylethyl propanoate
Short Description alpha-methylbenzyl propionate
Formula C11 H14 O2
CAS Number 120-45-6
CAS Number 120-45-6 (R)
CAS Number 120-45-6 (S)
Deleted CAS Number 117405-47-7
FEMA Number 2689
Flavis Number 9.144
ECHA Number 204-397-3
FDA UNII J5A62A7WWF
Nikkaji Number J36.819I
Beilstein Number 1948418
COE Number 425
xLogP3-AA 2.50 (est)
NMR Predictor External link
JECFA Food Flavoring 802 alpha-methylbenzyl propionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 120-45-6 ; ALPHA-METHYLBENZYL PROPIONATE
Synonyms
  • benzenemethanol, a-methyl-, propanoate
  • benzyl alcohol, a-methyl-, propionate
  • alpha- methyl benzene methanol propanoate
  • alpha- methyl benzyl alcohol propionate
  • alpha- methyl benzyl propanoate
  • alpha- methyl benzyl propionate
  • methyl phenyl carbinyl propionate
  • a- methylbenzenemethanol propanoate
  • a- methylbenzyl alcohol, propionate
  • a- methylbenzyl propanoate
  • alpha- methylbenzyl propanoate
  • a- methylbenzyl propionate
  • alpha- methylbenzyl propionate
  • methylphenylcarbinyl propionate
  • 1-phenethyl propionate
  • 1-phenyl ethyl propionate
  • phenyl methyl carbinyl propionate
  • 1-phenyl-1-ethyl propionate
  • 1-phenylethyl propanoate
  • 1-phenylethyl propionate
  • a- phenylethyl propionate
  • phenylmethylcarbinyl propionate
  • propionic acid alpha-methyl benzyl ester
  • propionic acid, 1-phenylethyl ester
  • propionic acid, a-methylbenzyl ester
  • styrallyl propionate
  • styrolyl propionate

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

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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):HMDB40287
FooDB:FDB020008
Export Tariff Code:2915.50.3000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 178.23098754883
Specific gravity @ 25 °C
Pounds per Gallon 8.338 to 8.396
Specific gravity @ 20 °C
Pounds per Gallon 8.356 to 8.422
Refractive Index 1.487 to 1.494 @ 20 °C
Boiling Point 91 to 92°C @ 5 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.069 mmHg @ 25 °C
Flash Point TCC Value 94.44 °C TCC
logP (o/w) 2.861 est
Solubility
alcohol Yes
water, 157.2 mg/L @ 25 °C (est) Yes
Stability
acid cleaner Unspecified
alcoholic lotion Unspecified
deo stick Unspecified
detergent perborate Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
non-discoloring in most media Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Floral
fresh, sweet, floral, rose, gardenia, green, weedy, fruity, tropical, citrus
Odor strength medium
Substantivity 6 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 100.00 %. fresh sweet floral rose gardenia green weedy
Mosciano, Gerard P&F 16, No. 1, 31, (1991) Sweet, fruity diffusive, with green, tropical and citrus nuances
Flavor Type: Citrus
citrus, green, fruity, tropical
Mosciano, Gerard P&F 16, No. 1, 31, (1991) At 10.00 ppm. Citrus and green, with fruity tropical nuances
General comment Green, fruity and citrus, notes of gooseberry, kiwi

Occurrences

Potential Uses

Applications
Odor purposes Apple green apple, Citrus, Gardenia, Grapefruit, Green, Guava, Herbal, Jasmin, Melon, Passion fruit, Plum, Rose
Flavoring purposes Tomato
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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 36 - Wear suitable protective clothing.
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:
10 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
gavage-rat LD50 [sex: M,F] 5.20 ml/kg
(Levenstein, 1973e)

oral-rat LD50 5200 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 613, 1976.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 613, 1976.

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 propionate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.97 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 27.00 (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: 10.0000015.00000
beverages(nonalcoholic): 4.000005.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 4.000005.00000
fruit ices: 4.000005.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 10.0000015.00000
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

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):120-45-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8432
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
1-phenylethyl propanoate
Chemidplus:0000120456
RTECS:DP0620000 for cas# 120-45-6
[(1R)-1-phenylethyl] propanoate
[(1S)-1-phenylethyl] propanoate