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rhodinyl phenyl acetate

Chemical Structure

General Material Information

Preferred name rhodinyl phenyl acetate
Trivial Name (3S)-3,7-Dimethyl-7-octen-1-yl benzeneacetate
Short Description 3,7-dimethyl-7-octen-1-yl phenylacetate
Formula C18 H26 O2
CAS Number 10486-14-3
FEMA Number 2985
Flavis Number 9.791
ECHA Number 234-003-5
FDA UNII 1664AOS2T2
COE Number 2163
xLogP3-AA 5.70 (est)
NMR Predictor External link
JECFA Food Flavoring 1018 rhodinyl phenylacetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 10486-14-3 ; RHODINYL PHENYLACETATE
Synonyms
  • acetic acid, phenyl-, 3,7-dimethyl-7-octenyl ester
  • (S)- benzene acetic acid 3,7-dimethyl-7-octen-1-yl ester
  • (S)-3,7-dimethyl oct-7-enyl phenyl acetate
  • (S)-3,7-dimethyl-7-octen-1-yl benzene acetate
  • 3,7-dimethyl-7-octen-1-yl phenyl acetate
  • 3,7-dimethyl-7-octen-1-yl phenylacetate
  • 3,7-dimethyl-7-octenyl phenylacetate
  • 3,7-dimethyloct-7-enyl 2-phenylacetate
  • phenyl acetic acid 3,7-dimethyl-7-octen-1-yl ester
  • phenylacetic acid 3,7-dimethyl-7-octenyl ester
  • rhodinyl a-toluate
  • rhodinyl alpha-toluate
  • rhodinyl phenylacetate
  • 3,7-dimethyloct-7-enyl 2-phenylacetate
  • Benzeneacetic acid, (3S)-3,7-dimethyl-7-octen-1-yl ester
  • Benzeneacetic acid, 3,7-dimethyl-7-octenyl ester, (S)-
  • Benzeneacetic acid, (3S)-3,7-dimethyl-7-octenyl ester
  • (3S)-3,7-Dimethyl-7-octen-1-yl benzeneacetate
  • (S)-3,7-Dimethyloct-7-enyl phenylacetate

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
HMDB (The Human Metabolome Database):HMDB37191
FooDB:FDB016193
Export Tariff Code:2916.35.1500
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 274.40362548828
Acid Value 1 max KOH/g
Vapor Pressure 9.0E-6 mmHg @ 25 °C
Flash Point TCC Value 120 °C TCC
logP (o/w) 5.841 est
Solubility
alcohol Yes
water, 0.06551 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
floral, rose red rose, honey, waxy, powdery, geranium, sweet, green
Luebke, William tgsc, (1986) At 100.00 %. floral red rose honey waxy powdery geranium
Mosciano, Gerard P&F 16, No. 3, 79, (1991) Floral, honey, sweet powdery, with green nuances
Flavor Type: Waxy
waxy, floral, powdery
Mosciano, Gerard P&F 16, No. 3, 79, (1991) At 30.00 ppm. Waxy and floral with powdery nuances

Potential Uses

Applications
Odor purposes Carnation, Floral, Herbal, Honey, Honeysuckle, Rose, Rose absolute replacer
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1977n)

oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 405, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 405, 1988.

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 rhodinyl phenyl acetate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/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: -4.40000
beverages(nonalcoholic): -1.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.20000
fruit ices: -1.20000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -3.80000
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 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (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

Flavouring Group Evaluation 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - 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 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):10486-14-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61521
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3,7-dimethyloct-7-enyl 2-phenylacetate
Chemidplus:0010486143