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prenyl benzoate
3-methylbut-2-enyl benzoate

Supplier Sponsors

Name:3-methylbut-2-enyl benzoate
CAS Number: 5205-11-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:225-998-7
FDA UNII:O577ZIE86G
Nikkaji Web:J235.998G
Beilstein Number:2046710
MDL:MFCD00036570
XlogP3:3.20 (est)
Molecular Weight:190.24198000
Formula:C12 H14 O2
BioActivity Summary:listing
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
JECFA Food Flavoring:2063 prenyl benzoate
FLAVIS Number:09.693 (Old)
DG SANTE Food Flavourings:09.693 prenyl benzoate
FEMA Number:4203 prenyl benzoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):5205-11-8 ; PRENYL BENZOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.01600 to 1.02500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.454 to 8.529
Specific Gravity:1.02000 to 1.02800 @ 20.00 °C.
Pounds per Gallon - est.: 8.497 to 8.564
Refractive Index:1.51400 to 1.52100 @ 20.00 °C.
Boiling Point: 109.00 to 111.00 °C. @ 2.00 mm Hg
Boiling Point: 280.00 to 281.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.004000 mmHg @ 25.00 °C. (est)
Flash Point: 210.00 °F. TCC ( 98.89 °C. )
logP (o/w): 3.818 (est)
Soluble in:
 alcohol
 water, 38.64 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alcoholic lotion
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 hard surface cleaner
 shampoo
 soap
 
Organoleptic Properties:
Odor Type: balsamic
Odor Strength:medium
Substantivity:96 hour(s) at 100.00 %
balsamic fruity chocolate ylang tea
Odor Description:at 100.00 %. balsam fruity chocolate ylang tea
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
PRENYL BENZOATE ≥98.0%, Kosher
Odor Description:A sweet, balsamic odor with tea-like quality and natural connotations
Has uses where balsamic notes are needed such as chocolate, vanilla. Has tuberose and tea notes.
Taste Description:balsamic
This is a good blender for chocolate, vanilla and fruit flavors that need sweet balsamic notes.
Taytonn
Proflora
Odor Description:Balsamic, Chocolate, Floral, Fruity, Metallic/ Metal, Ozone/Ozonic, Tea, Tuberose
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Azelis UK
PROFLORA
Services
Bedoukian Research
PRENYL BENZOATE
≥98.0%, Kosher
Odor: A sweet, balsamic odor with tea-like quality and natural connotations
Use: Has uses where balsamic notes are needed such as chocolate, vanilla. Has tuberose and tea notes.
Flavor: balsamic
This is a good blender for chocolate, vanilla and fruit flavors that need sweet balsamic notes.
Berjé
Prenyl Benzoate
Happening at Berje
BOC Sciences
For experimental / research use only.
PRENYL BENZOATE 98.0%
Creatingperfume.com
Proflora (IFF)
Odor: sweet, balsamic odor with tea-like
Ernesto Ventós
PROFLORA IFF
Odor: FRUITY, BALSAMIC, CHOCOLATE, YLANG
Lluch Essence
PRENYL BENZOATE
M&U International
Proflora
Penta International
PRENYL BENZOATE
Perfumery Laboratory
PROFLORA® IFF (Proflora® IFF)
Odor: Sweet balsamic fragrance with tea notes, shades of tuberose and chocolate
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Methyl-2-butenyl benzoate
Synerzine
Prenyl Benzoate
Taytonn
Proflora
Odor: Balsamic, Chocolate, Floral, Fruity, Metallic/ Metal, Ozone/Ozonic, Tea, Tuberose
TCI AMERICA
For experimental / research use only.
3-Methyl-2-butenyl Benzoate >98.0%(GC)
The John D. Walsh Company
Proflora
 
Safety Information:
Preferred SDS: View
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:
oral-rat LD50 4700 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 819, 1982.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 819, 1982.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for prenyl benzoate usage levels up to:
  15.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 4900 (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: 22
 average usual ppmaverage maximum ppm
baked goods: 10.00000100.00000
beverages(nonalcoholic): 0.300003.00000
beverages(alcoholic): 1.5000015.00000
breakfast cereal: 0.300001.50000
cheese: --
chewing gum: 15.00000100.00000
condiments / relishes: --
confectionery froastings: 1.5000010.00000
egg products: 1.5000010.00000
fats / oils: 1.5000010.00000
fish products: --
frozen dairy: 6.0000060.00000
fruit ices: 3.0000030.00000
gelatins / puddings: 3.0000030.00000
granulated sugar: --
gravies: --
hard candy: 5.0000050.00000
imitation dairy: --
instant coffee / tea: 0.600006.00000
jams / jellies: 3.0000030.00000
meat products: --
milk products: 0.6000060.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 1.5000015.00000
snack foods: --
soft candy: 3.0000030.00000
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
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): 20.00000100.00000
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): --
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 202: 3-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.3 of FGE.19[1]
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):5205-11-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :21265
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-methylbut-2-enyl benzoate
Chemidplus:0005205118
RTECS:EM9473900 for cas# 5205-11-8
 
References:
 3-methylbut-2-enyl benzoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5205-11-8
Pubchem (cid):21265
Pubchem (sid):134986227
Pherobase:View
 
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
FDA Substances Added to Food (formerly EAFUS):View
CHEMBL:View
KEGG (GenomeNet):C03885
HMDB (The Human Metabolome Database):HMDB32488
FooDB:FDB010134
Export Tariff Code:2916.31.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Prenyl benzoate
 
Potential Blenders and core components note
For Odor
balsamic
iso
amyl benzoate
FL/FR
amyl phenyl acetate
FL/FR
benzyl cinnamate
FL/FR
iso
butyl cinnamate
FL/FR
(E)-
cinnamyl butyrate
FL/FR
cinnamyl butyrate
FL/FR
cinnamyl formate
FL/FR
ethyl cinnamate
FL/FR
pine needle absolute
FL/FR
iso
propyl cinnamate
FL/FR
terpinyl butyrate
FL/FR
chocolate
cocoa hexenal
FL/FR
floral
alpha-
amyl cinnamyl acetate
FL/FR
benzyl alcohol
FL/FR
2-para-
cresyl oxyethyl acetate
FR
geranyl phenyl acetate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
fruity
allyl (E)-cinnamate
FL/FR
allyl cinnamate
FL/FR
balsam specialty
FR
(E)-
cinnamyl propionate
FL/FR
3-
phenyl propyl isobutyrate
FL/FR
green
picea glauca leaf absolute
FR
pinus cembra leaf twig oil
FR
herbal
ormenis multicaulis flower oil morocco
FR
tobacco
honey absolute
FL/FR
waxy
phytyl acetate
FL/FR
woody
callitris columellaris wood oil australia
FR
callitris intratropica wood oil australia
FR
santalyl butyrate
FL/FR
For Flavor
No flavor group found for these
allyl (E)-cinnamate
FL/FR
allyl cinnamate
FL/FR
amyl phenyl acetate
FL/FR
(E)-
cinnamyl butyrate
FL/FR
(E)-
cinnamyl propionate
FL/FR
phytyl acetate
FL/FR
pine needle absolute
FL/FR
santalyl butyrate
FL/FR
balsamic
balsamic
iso
butyl cinnamate
FL/FR
ethyl cinnamate
FL/FR
iso
propyl cinnamate
FL/FR
burnt
ethyl 2-furoate
FL
cocoa
butyraldehyde
FL
cocoa hexenal
FL/FR
earthy
alpha-
amyl cinnamyl acetate
FL/FR
floral
geranyl phenyl acetate
FL/FR
terpinyl butyrate
FL/FR
fruity
iso
amyl benzoate
FL/FR
benzyl alcohol
FL/FR
3-
phenyl propyl isobutyrate
FL/FR
honey
honey absolute
FL/FR
spicy
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
waxy
4-
phenyl-3-buten-2-ol
FL/FR
winey
cinnamyl butyrate
FL/FR
 
Potential Uses:
FRbalsam
FLchocolate cocoa
FRraspberry
FLtea
FRtuberose
FRvanilla
FRylang ylang
 
Occurrence (nature, food, other):note
 cascarilla bark oil @ 0.03%
Data GC Search Trop Picture
 croton eluteria bark oil @ 0.05%
Data GC Search Trop Picture
 ylang ylang oil I (cananga odorata hook. f. and thomas.) @ 0.11%
Data GC Search Trop Picture
 ylang ylang oil II (cananga odorata hook. f. and thomas.) @ 0.25%
Data GC Search Trop Picture
 ylang ylang oil III @ 0.27%
Data GC Search Trop Picture
 
Synonyms:
 benzoato prenile
 benzoic acid 3-methyl-2-butenyl ester
 benzoic acid, 3-methyl-2-butenyl ester
2-buten-1-ol, 3-methyl-, benzoate
3-methyl but-2-enyl benzoate
3-methyl-2-buten-1-yl benzoate
3-methyl-2-butenyl benzoate
3-methylbut-2-en-1-yl benzoate
3-methylbut-2-enyl benzoate
 prenol benzoate
 proflora (IFF)
 
 
Notes:
Used as a food additive [EAFUS]
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