geranyl benzoate
trans-3,7-dimethyl-2,6-octadien-1-yl benzoate
 
Notes:
Flavouring ingredient
  • BOC Sciences
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      Product(s):
      94-48-4 GERANYL BENZOATE FCC 97.0%
       
  • Indukern F&F
  • Lluch Essence
    • Lluch Essence S.L.
      A family company dedicated to sales and distribution
      Flexibility, availability, price and quality.
      Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world.
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      GERANYL BENZOATE
       
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  • Penta International
    • Penta International Corporation
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      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      07-13000 GERANYL BENZOATE
       
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CAS Number: 94-48-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 202-337-0
FDA UNII: B4M42WH83V
Beilstein Number: 3119464
MDL: MFCD00036513
CoE Number: 639
XlogP3-AA: 5.10 (est)
Molecular Weight: 258.36074000
Formula: C17 H22 O2
NMR Predictor: Predict (works with chrome or firefox)
CAS Number: 94-48-4  (E)Picture of molecule3D/inchi
FDA UNII: B4M42WH83V
Nikkaji Web: J60.346E
Beilstein Number: 3119464
XlogP3-AA: 5.10 (est)
Molecular Weight: 258.36074000
Formula: C17 H22 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
JECFA Food Flavoring: 860  geranyl benzoate
DG SANTE Food Flavourings: 09.767  geranyl benzoate
FEMA Number: 2511 geranyl benzoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):94-48-4 ; GERANYL BENZOATE
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 to yellow clear oily liquid (est)
Assay: 95.00 to 100.00 % sum of isomers
Equivalence Factor for Assay: 129.08
Food Chemicals Codex Listed: Yes
Specific Gravity: 0.98300 to 0.98900 @  25.00 °C.
Pounds per Gallon - (est).: 8.180 to  8.229
Refractive Index: 1.51600 to 1.52100 @  20.00 °C.
Boiling Point: 305.00 °C. @ 760.00 mm Hg
Boiling Point: 198.00 to  200.00 °C. @ 15.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.000017 mmHg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 5.705 (est)
Soluble in:
 alcohol
 water, 0.1831 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: balsamic
 
Odor Strength: medium
 
Substantivity: > 8 hour(s) at 100.00 %
 
 sweet  amber  ylang  rose  
Odor Description:
at 100.00 %. 
sweet amber ylang rose
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
GERANYL BENZOATE ≥97.0%, FCC, Kosher
Odor Description: Long-lasting rose, amber
Can be used to extend the odor of rose and geranium compositions.
Taste Description: amber
Used in fruit cocktail, pear, peach, apricot and cherry flavors.
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
GERANYL BENZOATE FCC 97.0%
Indukern F&F
GERANYL BENZOATE
Odor: FLORAL, AROMATIC, ROSE, AMBER
Inoue Perfumery
GERANYL BENZOATE S
Lluch Essence
GERANYL BENZOATE
Moellhausen
GERANYL BENZOATE
Penta International
GERANYL BENZOATE
U. K. Aromatics and Chemicals
GERANYL BENZOATE
Odor: sweet amber ylang rose
Flavor: Rose, pear, violet
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Safety Information:
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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:
2 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50  > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 887, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 887, 1974.

Inhalation Toxicity:
Not determined
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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
limits in the finished product for - "leave on the skin contact":
  0.5000 % Recommendation.
limits in the finished product for - "wash off the skin contact":
  0.5000 % Recommendation.
limits in the finished product for - "no skin contact":
  4.0000 % Recommendation.
Recommendation for geranyl benzoate usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.03 (μg/capita/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: -0.50000
beverages(nonalcoholic): 0.100000.13000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.160000.25000
fruit ices: 0.160000.25000
gelatins / puddings: -0.50000
granulated sugar: --
gravies: --
hard candy: -0.50000
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: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of benzyl derivatives 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):
Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009)
View page or View pdf
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
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 94-48-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 60980
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 3,7-dimethylocta-2,6-dienyl benzoate
Chemidplus: 0000094484
RTECS: RG5925300 for cas# 94-48-4
 [(2E)-3,7-dimethylocta-2,6-dienyl] benzoate
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References:
 3,7-dimethylocta-2,6-dienyl benzoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 94-48-4
Pubchem (cid): 60980
Pubchem (sid): 43118291
Pherobase: View
 [(2E)-3,7-dimethylocta-2,6-dienyl] benzoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 94-48-4
Pubchem (cid): 5353011
Pubchem (sid): 197198
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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): HMDB33478
FooDB: FDB011520
Export Tariff Code: 2916.31.0002
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
animal
para-cresyl caprylateFL/FR
balsamic
 benzophenoneFR
 phenethyl cinnamateFL/FR
 prenyl benzoateFL/FR
 terpinyl benzoateFR
earthy
 octyl phenyl acetateFL/FR
floral
 bois de rose oil brazilFL/FR
 cananga oilFL/FR
 champaca absoluteFR
 citronellyl acetoneFL/FR
 coranol (Firmenich)FR
 cyclohexyl salicylateFR
 dihydrogeranyl linaloolFR
 dihydrolinaloolFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 ethyl ortho-anisateFL/FR
 ethyl phenyl acetateFL/FR
 floral undecenoneFR
(E)-geranyl linaloolFL/FR
 ho leaf oilFR
 ho wood oilFR
beta-ionolFL/FR
laevo-linaloolFL/FR
dextro-linaloolFL/FR
 linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetate terpenesFR
 linalyl anthranilateFL/FR
 neryl benzoateFL/FR
 phenethyl benzoateFL/FR
 phenoxyethanolFL/FR
1-phenyl propyl alcoholFL/FR
3-phenyl propyl propionateFL/FR
4-phenyl-3-buten-2-olFL/FR
(Z,E)-phytolFL/FR
 tetrahydrolinaloolFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
 tuberose acetateFR
 wallflower absoluteFR
fruity
 benzyl methyl etherFL/FR
 cyclohexyl crotonateFR
 diethyl succinateFL/FR
green
(Z)-3-hexen-1-yl benzoateFL/FR
herbal
 methyl ortho-anisateFL/FR
naphthyl
para-methyl anisoleFL/FR
phenolic
 methyl benzoateFL/FR
spicy
 cubeb oilFL/FR
sulfurous
1-phenethyl mercaptanFL/FR
 
For Flavor
 
No flavor group found for these
 citronellyl acetoneFL/FR
 ethyl linalyl etherFL/FR
 ethyl ortho-anisateFL/FR
(E)-geranyl linaloolFL/FR
dextro-linaloolFL/FR
 methyl ortho-anisateFL/FR
 neryl benzoateFL/FR
 octyl phenyl acetateFL/FR
1-phenethyl mercaptanFL/FR
 phenoxyethanolFL/FR
3-phenyl propyl propionateFL/FR
 prenyl benzoateFL/FR
animal
para-cresyl caprylateFL/FR
balsamic
 phenethyl cinnamateFL/FR
1-phenyl propyl alcoholFL/FR
(Z,E)-phytolFL/FR
citrus
 linaloolFL/FR
laevo-linaloolFL/FR
fatty
(Z)-3-hexen-1-yl benzoateFL/FR
floral
 bois de rose oil brazilFL/FR
 cananga oilFL/FR
 dihydrolinaloolFL/FR
beta-ionolFL/FR
 linalyl anthranilateFL/FR
 phenethyl benzoateFL/FR
 tetrahydrolinaloolFL/FR
 tuberose absolute (from concrete)FL/FR
 tuberose absolute (from pommade)FL/FR
fruity
 benzyl methyl etherFL/FR
 diethyl succinateFL/FR
green
 linalool oxideFL/FR
herbal
3,6-dimethyl-3-octanolFL/FR
honey
 ethyl phenyl acetateFL/FR
naphthyl
para-methyl anisoleFL/FR
phenolic
 methyl benzoateFL/FR
spicy
 cubeb oilFL/FR
waxy
4-phenyl-3-buten-2-olFL/FR
 
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Potential Uses:
 amberFR
 apricotFR
 chypreFR
 fernFR
 fixer 
 geraniumFR
 heatherFR
 jasminFR
 lavenderFR
 peachFR
 pearFR
 roseFR
 rose red roseFR
 velvety 
 violetFR
 ylang ylangFR
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Occurrence (nature, food, other): note
 ylang ylang
Search Trop  Picture
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Synonyms:
 benzoic acid geraniol ester
 benzoic acid geranyl ester
 benzoic acid, geraniol ester
 dimethyl-2,6-octadien-1-yl benzoate
(E)-3,7-dimethyl-2,6-octadien-1-yl benzoate
trans-3,7-dimethyl-2,6-octadien-1-yl benzoate
(E)-3,7-dimethyl-2,6-octadiene-1-yl benzoate
(2E)-3,7-dimethyl-2,6-octadienyl benzoate
(2E)-3,7-dimethylocta-2,6-dien-1-yl benzoate
3,7-dimethylocta-2,6-dienyl benzoate
[(2E)-3,7-dimethylocta-2,6-dienyl] benzoate
 geraniol benzoate
(E)-geranyl benzoate
 geranyl benzoate S
(E)-neryl benzoate
2,6-octadien-1-ol, 3,7-dimethyl-, benzoate, (2E)-
2,6-octadien-1-ol, 3,7-dimethyl-, benzoate, (E)-
Synonyms   Articles   Notes   Search   Top
Articles:
PubMed: In vivo anti-inflammatory activity of some naturally occurring O- and N-prenyl secondary metabolites.
PubMed: Antiherbivore prenylated benzoic acid derivatives from Piper kelleyi.
PubMed: Synthesis of 3-farnesyl salicylic acid, a novel antimicrobial from Piper multiplinervium.
PubMed: Structural characterization of amorfrutins bound to the peroxisome proliferator-activated receptor γ.
PubMed: Cloning and expression analysis of ten genes associated with picrosides biosynthesis in Picrorhiza kurrooa.
PubMed: Contact and fumigant toxicity of Pinus densiflora needle hydrodistillate constituents and related compounds and efficacy of spray formulations containing the oil to Dermatophagoides farinae.
PubMed: Sodium benzoate, a metabolite of cinnamon and a food additive, upregulates neuroprotective Parkinson disease protein DJ-1 in astrocytes and neurons.
PubMed: Expression of 3-hydroxy-3-methylglutaryl-CoA reductase, p-hydroxybenzoate-m-geranyltransferase and genes of phenylpropanoid pathway exhibits positive correlation with shikonins content in arnebia [Arnebia euchroma (Royle) Johnston].
PubMed: Activation of the human transient receptor potential vanilloid subtype 1 by essential oils.
PubMed: Geranylation of benzoic acid derivatives by enzymatic extracts from Piper crassinervium (Piperaceae).
PubMed: W7FW14F apomyoglobin amyloid aggregates-mediated apoptosis is due to oxidative stress and AKT inactivation caused by Ras and Rac.
PubMed: Functional characterization of LePGT1, a membrane-bound prenyltransferase involved in the geranylation of p-hydroxybenzoic acid.
PubMed: Biosynthetic origins of the isoprene units of gaudichaudianic acid in Piper gaudichaudianum (Piperaceae).
PubMed: Isolation and structural determination of xerophytolic acid A, a 3-geranyl-4-hydroxybenzoate derivative from Xerophyta plicata.
PubMed: In-vitro human skin penetration of the fragrance material geranyl nitrile.
PubMed: Functional characterization of OsPPT1, which encodes p-hydroxybenzoate polyprenyltransferase involved in ubiquinone biosynthesis in Oryza sativa.
PubMed: Geranyl N-dimethylallylanthranilate, a new compound from Esenbeckia yaaxhokob.
PubMed: Electroantennographic and behavioral responses of the sphinx moth Manduca sexta to host plant headspace volatiles.
PubMed: Novel anti-inflammatory compounds from Myrsine seguinii, terpeno-benzoic acids, are inhibitors of mammalian DNA polymerases.
PubMed: Chemicals in laboratory room air stimulate olfactory neurons of female Bombyx mori.
PubMed: 3-Geranyl-4-hydroxy-5-(3'-methyl-2'-butenyl)benzoic acid as an anti-inflammatory compound from Myrsine seguinii.
PubMed: Kinetics of Cdc42 membrane extraction by Rho-GDI monitored by real-time fluorescence resonance energy transfer.
PubMed: Stringent structural requirements for anti-Ras activity of S-prenyl analogues.
PubMed: Isoprenyl phenyl ethers from liverworts of the genus Trichocolea: cytotoxic activity, structural corrections, and synthesis.
PubMed: Floral Scent Production in Clarkia (Onagraceae) (I. Localization and Developmental Modulation of Monoterpene Emission and Linalool Synthase Activity).
PubMed: Characterization and mechanism of (4S)-limonene synthase, a monoterpene cyclase from the glandular trichomes of peppermint (Mentha x piperita).
PubMed: Effects of olfactory stimulation with jasmin and its component chemicals on the duration of pentobarbital-induced sleep in mice.
PubMed: Mechanism of the pyrophosphate migration in the enzymatic cyclization of geranyl and linalyl pyrophosphates to (+)- and (-)-bornyl pyrophosphates.
PubMed: Investigation of isoprenoid benzoates and naphthoates by reversed-phase liquid chromatography. Isocratic elution characteristics of benzoates and naphthoates of C5-C20 terpenoid alcohols.
PubMed: Biosynthesis of monoterpenes: preliminary characterization of bornyl pyrophosphate synthetase from sage (Salvia officinalis) and demonstration that Geranyl pyrophosphate is the preferred substrate for cyclization.
PubMed: Formation of 3-hexaprenyl-4-hydroxybenzoate by matrix-free mitochondrial membrane-rich preparations of yeast.
PubMed: Purification and characterization of two forms of geranyl transferase from Ricinus communis.
PubMed: 3-Hydroxy-3-methylglutaryl CoA reductase and mevalonate kinase of Neurospora crassa.
PubMed: The purification and properties of pig liver geranyl pyrophosphate synthetase.
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