2-phenyl propyl acetate

flavor and fragrance agents

2D:
3D:
CAS Number:	10402-52-5
ECHA EC Number:	233-871-2
FDA UNII:	Search
Category:	flavor and fragrance agents
IUPAC Name:	2-phenyl propyl acetate
InChI :	InChI=1/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
Std.InChI:	InChI=1S/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChIKey :	RVPTTWAAIKMYAH-UHFFFAOYAZ
Std.InChIKey:	RVPTTWAAIKMYAH-UHFFFAOYSA-N
SMILES :	CC(COC(=O)C)C1=CC=CC=C1
MDL:	MFCD00026344
Molar Refractivity :	51.47 ± 0.3 cm3 (est)
Parachor :	426.6 ± 4.0 cm3 (est)
Index of Refraction :	1.496 ± 0.02 (est)
Surface Tension :	34.5 ± 3.0 dyne/cm (est)
Density :	1.012 ± 0.06 g/cm3 (est)
Polarizability :	20.40 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	97.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	1.01100 to 1.01900 @ 25.00 °C.
Pounds per Gallon - (est).:	8.413 to 8.479
Specific Gravity:	1.01200 to 1.02000 @ 20.00 °C.
Pounds per Gallon - est.:	8.431 to 8.497
Refractive Index:	1.49400 to 1.49800 @ 20.00 °C.
Boiling Point:	239.00 to 240.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.039000 mmHg @ 25.00 °C. (est)
Flash Point:	210.00 °F. TCC ( 98.89 °C. )
logP (o/w):	2.652 (est)
Soluble in:
	alcohol
	water, 157.2 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

sweet hyacinth lilac green earthy

Cosmetic Information:

CosIng:	cosmetic data
Cosmetic Uses:	perfuming agents

Suppliers:

BOC Sciences

For experimental / research use only.

Hydratropyl acetate 95%

Sigma-Aldrich: Aldrich

For experimental / research use only.

beta-Methylphenethyl Acetate

sds

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

References:

	2-phenylpropyl acetate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	10402-52-5
Pubchem (cid):	25239
Pubchem (sid):	134990964

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

Potential Blenders and core components :

For Odor

aldehydic

muguet undecadienal
FR

animal

para-

cresyl phenyl acetate
FL/FR

balsamic

bornyl formate
FL/FR

cinnamyl alcohol
FL/FR

phenyl propyl alcohol
FL/FR

caramellic

2-iso

butyl-3-methyl pyrazine
FL/FR

chemical

styralyl alcohol
FL/FR

citrus

tetrahydromyrcenol
FR

coconut

delta-

heptalactone
FL/FR

earthy

nonen-3-ol
FL/FR

octen-3-ol
FL/FR

fatty

(Z)-3-

octen-1-ol
FL/FR

fermented

hexanal diethyl acetal
FL/FR

floral

para-

anisaldehyde dimethyl acetal
FR

ethyl hydrocinnamate
FL/FR

geranium dihydropyran
FR

hawthorn ethanol
FR

hyacinth ether
FR

kewda oil
CS

(±)-

lilac aldehyde
FL/FR

lilac pentanol
FL/FR

linalool oxide
FL/FR

octyl acetate
FL/FR

phenethyl formate
FL/FR

phenethyl salicylate
FL/FR

phenyl acetaldehyde / methyl anthranilate schiff's base
FR

phenyl glycol diacetate
FR

phenyl propionaldehyde dimethyl acetal
FL/FR

phenyl propyl formate
FL/FR

phenyl propyl phenyl acetate
FR

phenyl propyl propionate
FL/FR

(E)-2-

phenyl-1(2)-propene-1-yl acetate
FR

propiophenone
FL/FR

reseda acetal
FR

(R)-

styralyl alcohol
FL/FR

tea acetate
FR

(+)-alpha-

terpineol
FL/FR

tetrahydrolinalool
FL/FR

ylang ylang flower oil III
FL/FR

fruity

amyl formate
FL/FR

benzyl methyl ether
FL/FR

(Z)-3-

hexen-1-yl anthranilate
FL/FR

pentyl furan
FL/FR

tropical trithiane
FL/FR

green

acetaldehyde ethyl phenethyl acetal
FL/FR

citrus carbaldehyde / methyl anthranilate schiff's base
FR

cumin acetaldehyde
FL/FR

alpha,alpha-

dimethyl benzyl alcohol
FL/FR

2,5-

dimethyl bicyclo(3.2.1)oct-2-ene
FR

ferula galbaniflua gum extract
FL/FR

galbanum resinoid replacer
FR

galbascone (IFF)
FR

geranium absolute
FL/FR

green ether
FL/FR

(Z)-3-

hepten-1-ol
FL/FR

heptyl cinnamate
FL/FR

(Z)-3-

hexen-1-yl acetoacetate
FL/FR

(Z)-3-

hexen-1-yl tiglate
FL/FR

hyacinth absolute
FL/FR

hyacinth butanal
FR

leafy acetal
FL/FR

octanal dimethyl acetal
FL/FR

phenoxyacetaldehyde 50% in benzyl alcohol
FR

phenyl acetaldehyde ethylene glycol acetal
FR

phenyl propionaldehyde
FL/FR

phenyl-2-pentanol
FL/FR

rose furan epoxide
FL/FR

2,4,8-

trimethyl-5-oxatricyclo(6.2.1.0*2,6*)undecane
FR

herbal

hydroxydihydrotheaspirane (mixture of isomers)
FL/FR

methyl ortho-anisate
FL/FR

powdery

para-

anisyl alcohol
FL/FR

terpenic

(-)-alpha-

terpineol
FL/FR

alpha-

terpineol
FL/FR

waxy

octyl isobutyrate
FL/FR

For Flavor

No flavor group found for these

benzyl disulfide
FL

bornyl formate
FL/FR

alpha,alpha-

dimethyl benzyl alcohol
FL/FR

ethyl hydrocinnamate
FL/FR

(Z)-3-

hepten-1-ol
FL/FR

heptyl cinnamate
FL/FR

hexanal diethyl acetal
FL/FR

(Z)-3-

hexen-1-yl acetoacetate
FL/FR

hyacinth absolute
FL/FR

(±)-

lilac aldehyde
FL/FR

methyl ortho-anisate
FL/FR

phenyl propyl formate
FL/FR

phenyl propyl propionate
FL/FR

rose furan epoxide
FL/FR

(R)-

styralyl alcohol
FL/FR

(+)-alpha-

terpineol
FL/FR

(-)-alpha-

terpineol
FL/FR

aromatic

leafy acetal
FL/FR

camphoreous

hydroxydihydrotheaspirane (mixture of isomers)
FL/FR

chemical

styralyl alcohol
FL/FR

citrus

alpha-

terpineol
FL/FR

creamy

octyl isobutyrate
FL/FR

earthy

nonen-3-ol
FL/FR

fatty

(Z)-3-

octen-1-ol
FL/FR

floral

(Z)-3-

hexen-1-yl anthranilate
FL/FR

tetrahydrolinalool
FL/FR

ylang ylang flower oil III
FL/FR

fruity

amyl formate
FL/FR

para-

anisyl alcohol
FL/FR

benzyl methyl ether
FL/FR

lilac pentanol
FL/FR

phenyl propionaldehyde dimethyl acetal
FL/FR

phenyl-2-pentanol
FL/FR

propiophenone
FL/FR

tropical trithiane
FL/FR

green

acetaldehyde ethyl phenethyl acetal
FL/FR

2-iso

butyl-3-methyl pyrazine
FL/FR

cinnamyl alcohol
FL/FR

cumin acetaldehyde
FL/FR

ferula galbaniflua gum extract
FL/FR

geranium absolute
FL/FR

green ether
FL/FR

(Z)-3-

hexen-1-yl tiglate
FL/FR

horseradish oil
FL

linalool oxide
FL/FR

octanal dimethyl acetal
FL/FR

pentyl furan
FL/FR

phenethyl formate
FL/FR

phenyl propionaldehyde
FL/FR

phenyl propyl alcohol
FL/FR

propylene glycol acetone ketal
FL

lactonic

delta-

heptalactone
FL/FR

medicinal,

phenethyl salicylate
FL/FR

mushroom

octen-3-ol
FL/FR

phenolic

para-

cresyl phenyl acetate
FL/FR

spicy

phenyl propyl alcohol
FL/FR

waxy

octyl acetate
FL/FR

Potential Uses:

FR	earth
FR	hyacinth
FR	jonquil
FR	lilac
FR	lily of the valley
FR	narcissus
FR	tulip
FR	violet
FR	wisteria

Occurrence (nature, food, other):

not found in nature

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

Articles:

None found yet. Try the PubMed Search.

CONTENTS

EU/US Properties Organoleptic EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles