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2-phenyl propyl acetate

Chemical Structure

General Material Information

Preferred name 2-phenyl propyl acetate
Trivial Name Benzeneethanol, β-methyl-, 1-acetate
Short Description hydratropic acetate
Formula C11 H14 O2
CAS Number 10402-52-5
ECHA Number 233-871-2
FDA UNII Search
Nikkaji Number J34.547D
MDL MFCD00026344
xLogP3-AA 2.40 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • acetic acid 2-phenylpropyl ester
  • hydratropic acetate
  • hydratropyl acetate
  • 1-methyl phenethyl acetate
  • beta- methyl phenyl ethyl acetate
  • 2-phenyl propyl acetate
  • 2-phenylpropyl acetate
  • 2-phenylpropyl ethanoate
  • 2-phenylpropyl acetate
  • Benzeneethanol, β-methyl-, 1-acetate
  • Phenethyl alcohol, β-methyl-, acetate
  • Benzeneethanol, β-methyl-, acetate
  • 2-Phenyl-1-propanol acetate
  • NSC 190972
  • 2-Phenylpropyl ethanoate

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
CHEBI:View
KEGG (GenomeNet):C17665
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.39.9050
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 178.23098754883
Specific gravity @ 25 °C
Pounds per Gallon 8.413 to 8.479
Specific gravity @ 20 °C
Pounds per Gallon 8.431 to 8.497
Refractive Index 1.494 to 1.498 @ 20 °C
Boiling Point 239 to 240°C @ 760 mm Hg
Vapor Pressure 0.039 mmHg @ 25 °C
Flash Point TCC Value 98.89 °C TCC
logP (o/w) 2.652 est
Solubility
alcohol Yes
water, 157.2 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
sweet, hyacinth, lilac, green, earthy
Luebke, William tgsc, (1992) At 100.00 %. sweet hyacinth lilac green earthy

Potential Uses

Applications
Odor purposes Earth , Hyacinth , Jonquil , Lilac , Lily of the valley , Narcissus , Tulip , Violet , Wisteria
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
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.
Oral/Parenteral Toxicity:
oral-rat LD50 4300 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 797, 1976.

Dermal Toxicity:
Not determined
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 acetate usage levels up to:
15.0000 % in the fragrance concentrate.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):10402-52-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :25239
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-phenylpropyl acetate
Chemidplus:0010402525