isobornyl phenyl acetate
1,7,7-trimethylbicyclo[2.2.1]hept-2-yl phenylacetate
 
Notes:
Replacer for isobornyl acetate.
Synonyms   Articles   Notes   Search
(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-phenylacetate (Click)
CAS Number: 94022-06-7Picture of molecule
ECHA EINECS - REACH Pre-Reg: 301-499-0
Nikkaji Web: J367.952G
CoE Number: 566
XlogP3-AA: 4.70 (est)
Molecular Weight: 272.38768000
Formula: C18 H24 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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
Flavis Number: 09.756 (Old)
DG SANTE Food Flavourings: 09.756  isobornyl phenylacetate
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: white to pale yellow solid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.96500 @  25.00 °C.
Melting Point: 158.00 to  160.00 °C. @ 760.00 mm Hg
Boiling Point: 431.00 to  433.00 °C. @ 760.00 mm Hg
Flash Point: 314.00 °F. TCC ( 156.67 °C. )
logP (o/w): 5.151 (est)
Soluble in:
 alcohol 1:5
 water, 0.3133 mg/L @ 25 °C (est)
Insoluble in:
 water
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Type: balsamic
Odor Strength: medium
 cypress  balsamic  
Odor Description:
at 100.00 %. 
cypress oil
  
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: flavor and fragrance agents
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
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
Synonyms   Articles   Notes   Search   Top
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
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
Synonyms   Articles   Notes   Search   Top
References:
 (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-phenylacetate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 3656473
Pubchem (sid): 135203141
Synonyms   Articles   Notes   Search   Top
Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
No odor group found for these
 pine needle concreteFR
 pinus sylvestris cone extractFR
balsamic
 abies alba leaf extractFR
isobornyl acetateFL/FR
 bornyl formateFL/FR
isobornyl isobutyrateFL/FR
 fenchyl acetateFL/FR
 frankincense absoluteFL/FR
 khella oilFR
 terpinyl benzoateFR
camphoreous
 camphor tree bark oilFL/FR
chocolate
 tetrahydrofurfuryl phenyl acetateFL/FR
citrus
beta-bisabololFL/FR
2-heptanolFL/FR
 melissa oil slovak republic 
 verbena absolute franceFL/FR
earthy
(-)-alpha-fencholFL/FR
(Z)-4-octen-1-olFL/FR
floral
 benzyl acetoneFL/FR
(E)-cinnamophenone 
gamma-damasconeFR
(Z)-3-hexen-1-yl salicylateFL/FR
 lavender oilFL/FR
 linalool oxide (furanoid)FL/FR
para-methyl benzyl acetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 phenethyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
2-isopropoxyethyl salicylateFR
 rose undeceneFR
sesquiphellandrene 
fungal
 hydroxymethyl hexyl ethyl ketoneFL/FR
green
 heptyl benzoateFL/FR
herbal
 arnica flower oilFR
 matricaria chamomilla flower oilFL/FR
 rhododendron anthopogon leaf oilFR
 rosemary oil africaFL/FR
 rosemary oil corsicaFL/FR
 rosemary oil tunisiaFL/FR
 tea leaf absoluteFL/FR
 theaspiraneFL/FR
honey
 phenoxyacetic acidFL/FR
pine
 bornyl benzoate 
 pine oil 85FR
 pinus palustris needle oilFR
 caraway seed oleoresinFL/FR
 cinnamaldehyde / methyl anthranilate schiff's baseFR
 eugenyl phenyl acetateFL/FR
 gingergrass oilFR
 walnut leaf oilFR
tobacco
2,6,6-trimethyl-2-hydroxycyclohexanoneFL/FR
woody
 abies lasiocarpa oil canadaFR
 abies pectinata needle oilFR
 cistus twig/leaf absoluteFR
 juniper needle oilFR
isolongifolene epoxideFR
 spruce needle oil canadaFL/FR
 tetrahydromugolFR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
 bornyl benzoate 
 bornyl formateFL/FR
isobornyl isobutyrateFL/FR
 capsicum oleoresin CO2 extractFL
(E)-cinnamophenone 
 eugenyl phenyl acetateFL/FR
 fenchyl acetateFL/FR
 heptyl benzoateFL/FR
 hydroxymethyl hexyl ethyl ketoneFL/FR
 linalool oxide (furanoid)FL/FR
 melissa oil slovak republic 
para-methyl benzyl acetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(Z)-4-octen-1-olFL/FR
sesquiphellandrene 
 phenoxyacetic acidFL/FR
isoquinolineFL
 tea leaf absoluteFL/FR
 tetrahydrofurfuryl phenyl acetateFL/FR
2,6,6-trimethyl-2-hydroxycyclohexanoneFL/FR
acidic
(E)-2-hexenoic acidFL
camphoreous
 camphor tree bark oilFL/FR
(-)-alpha-fencholFL/FR
 rosemary oil tunisiaFL/FR
citrus
beta-bisabololFL/FR
 verbena absolute franceFL/FR
cooling
 theaspiraneFL/FR
fruity
 benzyl acetoneFL/FR
2-heptanolFL/FR
green
(Z)-3-hexen-1-yl salicylateFL/FR
herbal
 lavender oilFL/FR
 matricaria chamomilla flower oilFL/FR
 rosemary oil africaFL/FR
 rosemary oil corsicaFL/FR
honey
 phenethyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
medicinal
 frankincense absoluteFL/FR
spicy
 caraway seed oleoresinFL/FR
white pepper oleoresinFL
woody
isobornyl acetateFL/FR
 spruce needle oil canadaFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 chypreFR
 cypressFR
 fir 
 fir balsamFR
 heatherFR
 pineFR
 woodyFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
isobornyl 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
Synonyms   Articles   Notes   Search   Top
Synonyms   Articles   Notes   Search   Top
Please share your Comments.
Email Address:
 
 
 
 
Top of Page Home
Copyright © 1980-2017 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy