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narcissus acetate

Chemical Structure

General Material Information

Preferred name narcissus acetate
Trivial Name 1,1-Dimethyl-3-phenylpropyl acetate
Short Description 2-methyl-4-phenyl-2-butyl acetate
Formula C13 H18 O2
CAS Number 103-07-1
FEMA Number 2735
Flavis Number 9.029
ECHA Number 203-077-0
FDA UNII 9YRG98MG30
Nikkaji Number J33.456A
Beilstein Number 2522047
MDL MFCD00026197
COE Number 219
xLogP3-AA 3.00 (est)
NMR Predictor External link
JECFA Food Flavoring 1460 2-methyl-4-phenyl-2-butyl acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 103-07-1 ; 2-METHYL-4-PHENYL-2-BUTYL ACETATE
Synonyms
  • acetic acid, (1,1-dimethyl-3-phenylpropyl) ester
  • benzenepropanol, a,a-dimethyl-, acetate
  • 2-butanol, 2-methyl-4-phenyl-, acetate
  • alpha,alpha- dimethyl benzene propanol acetate
  • alpha,alpha- dimethyl benzene propyl acetate
  • dimethyl phenethyl carbinyl acetate
  • dimethyl phenyl ethyl carbinyl acetate
  • dimethyl phenylethyl carbinyl acetate
  • 1,1-dimethyl-3-phenyl propan-1-yl acetate
  • 1,1-dimethyl-3-phenyl propyl acetate
  • 1,1-dimethyl-3-phenylpropan-1-yl acetate
  • 1,1-dimethyl-3-phenylpropyl acetate
  • dimethylphenethyl carbinyl acetate
  • dimethylphenethylcarbinol acetate
  • dimethylphenylethylcarbinyl acetate
  • 2-methyl-4-phenyl-2-butanyl acetate
  • 2-methyl-4-phenyl-2-butyl acetate
  • 2-methyl-4-phenylbutan-2-yl acetate
  • (2-methyl-4-phenylbutan-2-yl) acetate
  • phenethyl dimethyl carbinyl acetate
  • phenylethyl dimethyl carbinyl acetate
  • (2-methyl-4-phenylbutan-2-yl) acetate
  • Benzenepropanol, α,α-dimethyl-, 1-acetate
  • 2-Butanol, 2-methyl-4-phenyl-, acetate
  • Benzenepropanol, α,α-dimethyl-, acetate
  • Dimethylphenylethyl carbinyl acetate
  • 1,1-Dimethyl-3-phenylpropyl acetate
  • 2-Acetoxy-2-methyl-4-phenylbutane

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):HMDB34556
FooDB:FDB013068
Export Tariff Code:2915.39.9050
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 206.28486633301
Specific gravity @ 25 °C
Pounds per Gallon 8.138 to 8.205
Specific gravity @ 20 °C
Pounds per Gallon 8.156 to 8.222
Refractive Index 1.486 to 1.491 @ 20 °C
Boiling Point 243 to 244°C @ 760 mm Hg
Acid Value 0.2 max KOH/g
Vapor Pressure 0.003 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 3.611 est
Solubility
alcohol Yes
dipropylene glycol Yes
water, 17.74 mg/L @ 25 °C (est) Yes
water No
Stability
acid cleaner Unspecified
alcoholic lotion Unspecified
antiperspirant Unspecified
bleach Unspecified
deo stick Unspecified
detergent Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Floral
rose, green, narcissus, leafy, sweet, balsamic, floral
Odor strength medium
Substantivity 28 hour(s) at 100.00 %
Luebke, William tgsc, (1986) At 100.00 %. deep rose green narcissus leafy sweet balsamic floral
Flavor Type: Green
green, leafy, cyclamen, privet, balsamic, soapy, rose, phenolic
Luebke, William tgsc, (1986) Green leafy cyclamen privet balsamic soapy rose phenolic

Potential Uses

Applications
Odor purposes Balsam, Currant, Gooseberry, Green, Herbal, Hyacinth, Jasmin, Mulberry, Narcissus, Raspberry, Rose, Strawberry
Other purposes Leaf
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 4850 mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 721, 1978.

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 narcissus acetate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.34 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.04 (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: 0.5000010.00000
beverages(nonalcoholic): -1.80000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.50000
fruit ices: -0.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.5000010.00000
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):

Flavouring Group Evaluation 89 (FGE.89): Consideration of phenyl-substituted aliphatic tertiary alcohols and related aldehydes and esters evaluated by JECFA (63rd and 68th meetings) structurally related to aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters evaluated by EFSA in FGE.18Rev1 (2009)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):103-07-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7633
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(2-methyl-4-phenylbutan-2-yl) acetate
Chemidplus:0000103071