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isobornyl phenyl acetate

Chemical Structure

General Material Information

Preferred name isobornyl phenyl acetate
Trivial Name 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl benzeneacetate
Short Description 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl phenylacetate
Formula C18 H24 O2
CAS Number 94022-06-7
Flavis Number 9.756
ECHA Number 301-499-0
FDA UNII Search
Nikkaji Number J367.952G
COE Number 566
xLogP3-AA 4.70 (est)
NMR Predictor External link
Synonyms
  • iso bornyl phenylacetate
  • 1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl phenyl acetate
  • (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-phenylacetate
  • 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl phenylacetate
  • (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-phenylacetate
  • Benzeneacetic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester
  • 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl benzeneacetate

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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2916.35.1500
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 272.38766479492
Specific gravity @ 25 °C
Pounds per Gallon
Melting Point 158 to 160°C @ 760 mm Hg
Boiling Point 431 to 433°C @ 760 mm Hg
Flash Point TCC Value 156.67 °C TCC
logP (o/w) 5.151 est
Solubility
alcohol 1:5 Yes
water, 0.3133 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Balsamic
cypress, balsamic
General comment At 100.00 %. cypress oil

Potential Uses

Applications
Odor purposes Chypre, Cypress oil replacer, Fir balsam, Heather, Pine, Woody
Other purposes Fir

Safety Information

Safety information

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:
Not determined
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 isobornyl phenyl acetate usage levels up to:
3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000

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 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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3656473
National Institute of Allergy and Infectious Diseases:Data
(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-phenylacetate
Chemidplus:0094022067