EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

geranyl benzoate
trans-3,7-dimethyl-2,6-octadien-1-yl benzoate

Supplier Sponsors

Name:3,7-dimethylocta-2,6-dienyl benzoate
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)
Name:[(2E)-3,7-dimethylocta-2,6-dienyl] benzoate
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
FLAVIS Number:09.767 (Old)
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.
 
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
 
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.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Bedoukian Research
GERANYL BENZOATE
≥97.0%, FCC, Kosher
Odor: Long-lasting rose, amber
Use: Can be used to extend the odor of rose and geranium compositions.
Flavor: amber
Used in fruit cocktail, pear, peach, apricot and cherry flavors.
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
Penta International
GERANYL BENZOATE, Kosher
U. K. Aromatics and Chemicals
GERANYL BENZOATE
Odor: sweet amber ylang rose
Flavor: Rose, pear, violet
 
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
 
Safety in Use Information:
Category: flavor and fragrance agents
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
 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: --
 
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 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
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
 
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
 
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
HMDB (The Human Metabolome Database):HMDB33478
FooDB:FDB011520
Export Tariff Code:2916.31.0002
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
para-
cresyl caprylate
FL/FR
balsamic
benzophenone
FR
phenethyl cinnamate
FL/FR
prenyl benzoate
FL/FR
terpinyl benzoate
FR
earthy
octyl phenyl acetate
FL/FR
floral
bois de rose oil brazil
FL/FR
cananga oil
FL/FR
champaca absolute
FR
citronellyl acetone
FL/FR
coranol (Firmenich)
FR
cyclohexyl salicylate
FR
dihydrogeranyl linalool
FR
dihydrolinalool
FL/FR
3,6-
dimethyl-3-octanol
FL/FR
ethyl linalool
FR
ethyl linalyl acetal
FR
ethyl linalyl acetate
FR
ethyl linalyl ether
FL/FR
ethyl ortho-anisate
FL/FR
ethyl phenyl acetate
FL/FR
floral undecenone
FR
(E)-
geranyl linalool
FL/FR
ho leaf oil
FR
ho wood oil
FR
beta-
ionol
FL/FR
dextro-
linalool
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
linalool oxide
FL/FR
linalyl acetate terpenes
FR
linalyl anthranilate
FL/FR
neryl benzoate
FL/FR
phenethyl benzoate
FL/FR
phenoxyethanol
FL/FR
1-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl propionate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
(Z,E)-
phytol
FL/FR
tetrahydrolinalool
FL/FR
tuberose absolute (from concrete)
FL/FR
tuberose absolute (from pommade)
FL/FR
tuberose acetate
FR
wallflower absolute
FR
fruity
benzyl methyl ether
FL/FR
cyclohexyl crotonate
FR
diethyl succinate
FL/FR
green
(Z)-3-
hexen-1-yl benzoate
FL/FR
herbal
methyl ortho-anisate
FL/FR
naphthyl
para-
methyl anisole
FL/FR
phenolic
methyl benzoate
FL/FR
spicy
cubeb oil
FL/FR
For Flavor
No flavor group found for these
citronellyl acetone
FL/FR
ethyl linalyl ether
FL/FR
ethyl ortho-anisate
FL/FR
(E)-
geranyl linalool
FL/FR
dextro-
linalool
FL/FR
methyl ortho-anisate
FL/FR
neryl benzoate
FL/FR
octyl phenyl acetate
FL/FR
1-
phenethyl mercaptan
FL
phenoxyethanol
FL/FR
3-
phenyl propyl propionate
FL/FR
prenyl benzoate
FL/FR
animal
animal
para-
cresyl caprylate
FL/FR
balsamic
phenethyl cinnamate
FL/FR
1-
phenyl propyl alcohol
FL/FR
(Z,E)-
phytol
FL/FR
citrus
laevo-
linalool
FL/FR
linalool
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
floral
bois de rose oil brazil
FL/FR
cananga oil
FL/FR
dihydrolinalool
FL/FR
beta-
ionol
FL/FR
linalyl anthranilate
FL/FR
phenethyl benzoate
FL/FR
tetrahydrolinalool
FL/FR
tuberose absolute (from concrete)
FL/FR
tuberose absolute (from pommade)
FL/FR
fruity
benzyl methyl ether
FL/FR
diethyl succinate
FL/FR
green
linalool oxide
FL/FR
herbal
3,6-
dimethyl-3-octanol
FL/FR
honey
ethyl phenyl acetate
FL/FR
naphthyl
para-
methyl anisole
FL/FR
phenolic
methyl benzoate
FL/FR
spicy
cubeb oil
FL/FR
waxy
4-
phenyl-3-buten-2-ol
FL/FR
 
Potential Uses:
FRamber
FRapricot
FRchypre
FRfern
 fixer
FRgeranium
FRheather
FRjasmin
FRlavender
FRpeach
FRpear
FRrose
FRrose red rose
 velvety
FRviolet
FRylang ylang
 
Occurrence (nature, food, other):note
 ylang ylang
Search Trop Picture
 
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)-
 

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.
 
Notes:
Flavouring ingredient
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy