santalyl phenyl acetate
santalyl phenylacetate
 
Notes:
Used as a food additive [EAFUS]
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      Product(s):
      1323-75-7 Santalyl Phenylacetate
       
  • CSA
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CAS Number: 1323-75-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 215-358-5
FDA UNII: QP25GMB7W2
CoE Number: 239
XlogP3-AA: 6.20 (est)
Molecular Weight: 338.49050000
Formula: C23 H30 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: CASrn in Register refers to incompletely defined substance. 60-65 % a-, 30-35 % b- form. 80-85 % Z versus 15-20 % E (for the alpha) and 75-80 % Z versus 20-25 % E (for the beta) (EFFA, 2013).
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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NCBI: Search
JECFA Food Flavoring: 1022  santalyl phenylacetate (alpha and beta)
DG SANTE Food Flavourings: 09.712  santalyl phenylacetate
FEMA Number: 3008 santalyl phenylacetate (alpha and beta)
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):1323-75-7 ; SANTALYL PHENYLACETATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.02200 to 1.02900 @  25.00 °C.
Pounds per Gallon - (est).: 8.504 to  8.562
Refractive Index: 1.52500 to 1.57600 @  20.00 °C.
Boiling Point: 440.00 to  441.00 °C. @ 760.00 mm Hg (est)
Acid Value: 1.00 max. KOH/g
Flash Point: 266.00 °F. TCC ( 130.00 °C. ) (est)
logP (o/w): 7.506 (est)
Soluble in:
 alcohol
 water, 0.001322 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl phenyl acetate
amyl phenyl acetate
isoamyl phenyl acetate
para-anisyl phenyl acetate
benzyl phenyl acetate
isobornyl phenyl acetate
butyl phenyl acetate
isobutyl phenyl acetate
cinnamyl phenyl acetate
citronellyl phenyl acetate
meta-cresyl phenyl acetate
para-cresyl phenyl acetate
cyclohexyl phenyl acetate
dimethyl octanyl phenyl acetate
ethyl phenyl acetate
eugenyl phenyl acetate
isoeugenyl phenyl acetate
furfuryl phenyl acetate
geranyl phenyl acetate
guaiacyl phenyl acetate
heptyl phenyl acetate
(E)-2-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl phenyl acetate
hexyl phenyl acetate
linalyl phenyl acetate
menthyl phenyl acetate
laevo-menthyl phenyl acetate
methyl butyl phenyl acetate
methyl phenyl acetate
neryl phenyl acetate
nonyl phenyl acetate
octyl phenyl acetate
phenethyl phenyl acetate
phenyl propyl phenyl acetate
propyl 4-tert-butyl phenyl acetate
propyl phenyl acetate
isopropyl phenyl acetate
rhodinyl phenyl acetate
tetrahydrofurfuryl phenyl acetate
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Organoleptic Properties:
 
Odor Type: woody
 
Odor Strength: medium
 
 honey  floral  sandalwood  
Odor Description:
at 100.00 %. 
honey floral sandal
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Santalyl Phenylacetate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for santalyl phenyl acetate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.029 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/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: -2.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.95000
fruit ices: -0.95000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -2.00000
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: --
 
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 (05.0): 10.00000-
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): 2.0000010.00000
Sweeteners, including honey (11.0): 2.0000010.00000
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
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of phenethyl alcohol, aldehydes, acids, and related acetals and esters used as flavor ingredients. View pdf
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):
Scientific Opinion on Flavouring Group Evaluation 207 (FGE.207): Consideration of genotoxic potential for one branched-chain aliphatic acyclic a,-unsaturated 2-alkylated aldehyde with additional double-bonds, from subgroup 1.1.2 of FGE.19 and four alicyclic aldehydes with the a,-unsaturation in a side-chain, from subgroup 2.1 of FGE.19, which are considered to be covered by the one substance of subgroup 1.1.2, by EFSA
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 73, Revision 2 (FGE.73Rev2): Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev3 (2012)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 12, Revision 4 (FGE.12Rev4): primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters from chemical groups 1 and 7
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 72, Revision 1 (FGE.72Rev1): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids, esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 73, Revision 3 (FGE.73Rev3): Consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev4 (2013)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 73, Revision 4 (FGE.73Rev4): consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev5
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 73, Revision 5 (FGE.73Rev5): consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th, 63rd and 86th meeting) and structurally related to substances evaluated in FGE.12Rev5
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 1323-75-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 73557527
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 [2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate
Chemidplus: 0001323757
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References:
 [2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 1323-75-7
Pubchem (cid): 73557527
Pubchem (sid): 135278116
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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
CHEBI: View
HMDB (The Human Metabolome Database): HMDB32502
FooDB: FDB010231
Export Tariff Code: 2916.35.1500
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-beta-methyl iononeFL/FR
amber
 acetoxymethyl isolongifoleneFR
balsamic
 brachyleana hutchinsii wood oilFR
chocolate
 cocoa pentenalFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 myrcenyl acetateFL/FR
earthy
(Z)-linalool oxide (furanoid)FL/FR
4-tert-butyl cyclohexane carboxaldehydeFR
 cassie absoluteFL/FR
 decyl formateFR
2',4'-dimethyl acetophenoneFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 ethyl phenyl acetateFL/FR
 geranium nitrileFR
 ho wood oilFR
 hyacinth acetalsFL/FR
beta-iononeFL/FR
alpha-iononeFL/FR
(E)-beta-iononeFL/FR
alpha-ironeFL/FR
 linaloe wood oil mexicoFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
beta-isomethyl iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
bitter orangeflower concrete moroccoFR
 orris rhizome absolute (iris pallida)FL/FR
 petitgrain cedrat oilFL/FR
 phenethyl benzoateFL/FR
 phenethyl hexanoateFL/FR
3-phenyl propyl formateFL/FR
isopropyl phenyl acetateFL/FR
 rhodinyl phenyl acetateFL/FR
 rose concrete (rosa centifolia)FR
 styralyl formateFL/FR
 vetiver pentanoneFR
fruity
isobutyl furyl propionateFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
 tropical iononeFL/FR
green
isogreen methanoindeneFR
(E)-2-hexen-1-yl salicylateFR
4-methyl-4-phenyl pentanoneFR
herbal
 freesia heptanolFL/FR
 immortelle flower oilFL/FR
honey
 methyl phenyl acetateFL/FR
 phenyl acetic acidFL/FR
 propyl phenyl acetateFL/FR
musty
 cocoa butenalFL/FR
orris
beta-methyl iononeFL/FR
powdery
(E)-alpha-methyl ionone (50-60%)FL/FR
spicy
isoeugenyl phenyl acetateFL/FR
 spicy carbonateFR
woody
 agarwood oilFR
alpha-cedrene epoxideFR
2-decalinyl formateFR
 dihydro-beta-ionolFL/FR
3',4'-dimethoxyacetophenone 
 methyl sandalFR
 patchouli ethanoneFR
 sandal butenolFR
 sandal cyclopentaneFR
 sandal cyclopropaneFL/FR
 sandal glycol acetalFR
 sandal hexanolFR
 sandal octanolFR
 sandal pentanolFR
 sandal pentenolFL/FR
 sandal pentenoneFR
 sandalromeFR
 sandalwood resinoidFL/FR
 sandelFR
 santallFR
 santalolFL/FR
alpha-santalolFL/FR
(+)-alpha-santalyl acetateFL/FR
 santalyl acetateFL/FR
 santol pentenolFR
 vetiverolFL/FR
 vetiveryl acetateFL/FR
 vetiveryl formateFR
(Z)-woody amyleneFR
 woody epoxideFR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
 dihydro-beta-ionolFL/FR
2',4'-dimethyl acetophenoneFL/FR
 linaloe wood oil mexicoFL/FR
(Z)-linalool oxide (furanoid)FL/FR
beta-isomethyl iononeFL/FR
(E)-beta-methyl iononeFL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
3-phenyl propyl formateFL/FR
 sandal pentenolFL/FR
 santalolFL/FR
alpha-santalolFL/FR
(+)-alpha-santalyl acetateFL/FR
 styralyl formateFL/FR
 vetiveryl acetateFL/FR
isobutyl furyl propionateFL/FR
amber
 sandal cyclopropaneFL/FR
aromatic
 hyacinth acetalsFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 freesia heptanolFL/FR
laevo-linaloolFL/FR
 myrcenyl acetateFL/FR
 petitgrain cedrat oilFL/FR
floral
 cocoa pentenalFL/FR
alpha-iononeFL/FR
beta-methyl iononeFL/FR
alpha-isomethyl ionone (50% min.)FL/FR
 methyl phenyl acetateFL/FR
 phenethyl benzoateFL/FR
 phenyl acetic acidFL/FR
 tropical iononeFL/FR
fruity
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
green
 cocoa butenalFL/FR
 linalool oxideFL/FR
herbal
 immortelle flower oilFL/FR
honey
 ethyl phenyl acetateFL/FR
 propyl phenyl acetateFL/FR
isopropyl phenyl acetateFL/FR
spicy
 cassie absoluteFL/FR
isoeugenyl phenyl acetateFL/FR
sweet
 orris rhizome absolute (iris pallida)FL/FR
waxy
 phenethyl hexanoateFL/FR
 rhodinyl phenyl acetateFL/FR
woody
3',4'-dimethoxyacetophenone 
(E)-beta-iononeFL/FR
beta-iononeFL/FR
alpha-ironeFL/FR
 sandalwood resinoidFL/FR
 santalyl acetateFL/FR
 vetiverolFL/FR
 
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Potential Uses:
 balsamFR
 genetFR
 leather russian leatherFR
 tobaccoFR
 tweed 
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
[2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] 2-phenylacetate
 phenyl acetic acid santalyl ester
 santalyl alpha-toluate
alpha-santalyl phenyl acetate
beta-santalyl phenyl acetate
 santalyl phenylacetate
 santalyl phenylacetate (alpha and beta)
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