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citronellyl phenyl acetate
3,7-dimethyl-6-octenyl phenylacetate

Sponsors

Name:3,7-dimethyloct-6-enyl 2-phenylacetate
CAS Number: 139-70-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:205-373-5
FDA UNII:HH43UJ4D76
Nikkaji Web:J74.799H
CoE Number:2157
XlogP3-AA:5.40 (est)
Molecular Weight:274.40362000
Formula:C18 H26 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate.
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:1021 citronellyl phenylacetate
FLAVIS Number:09.785 (Old)
DG SANTE Food Flavourings:09.785 citronellyl phenylacetate
FEMA Number:2315 citronellyl phenylacetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: CITRONELLYL 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.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99200 @ 25.00 °C.
Specific Gravity:0.95800 to 0.96000 @ 25.00 °C.
Pounds per Gallon - est.: 7.972 to 7.988
Refractive Index:1.49100 to 1.50100 @ 20.00 °C.
Boiling Point: 342.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 5.840 (est)
Soluble in:
 alcohol
 water, 0.07646 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
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
santalyl phenyl acetate
tetrahydrofurfuryl phenyl acetate
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
Substantivity:192 hour(s) at 100.00 %
fresh sweet honey rose waxy herbal
Odor Description:at 100.00 %. fresh sweet honey rose waxy
Luebke, William tgsc, (1985)
Odor sample from: Nickstadt Moeller, Inc.
Flavor Type: floral
sweet floral rose honey waxy
Taste Description: sweet floral rose honey waxy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Citronellyl Phenylacetate
CG Herbals
Citronellyl Phenyl Acetate
Odor: Sweet-herbaceous rosy, heavy
Use: A good Fixative/blends well for oriental/chypre/neroli/orange blossom types of perfumes.
Diffusions Aromatiques
CITRONNELLYLE PHENYL ACETATE
Ernesto Ventós
CITRONELLYL PHENYLACETATE
Odor: SWEET, ROSY, FLORAL, HONEY, WAXY
Indukern F&F
CITRONELLYL PHENYL ACETATE
Odor: SOFT, AROMATIC, FRESH, HONEY
Inoue Perfumery
CITRONELLYL PHENYL ACETATE S
Lluch Essence
CITRONELLYL PHENYL ACETATE
Moellhausen
CITRONELLYL PHENYLACETATE
Odor: fresh aromatic; somewhat honey-like
Penta International
CITRONELLYL PHENYLACETATE, Kosher
Prodasynth
CITRONELLYL PHENYLACETATE >97%
Odor: SWEET, ROSY, FLORAL, HONEY, WAXY
Synerzine
Citronellyl Phenylacetate
U. K. Aromatics and Chemicals
CITRONELLYL PHENYL ACETATE
 
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1977o)

oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 657, 1982.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 657, 1982.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for citronellyl phenyl acetate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 2.00 (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: -17.00000
beverages(nonalcoholic): -1.30000
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: -2.40000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to: Flavouring Group Evaluation 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

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 Substance Registry Services (TSCA):139-70-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8767
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3,7-dimethyloct-6-enyl 2-phenylacetate
Chemidplus:0000139708
 
References:
 3,7-dimethyloct-6-enyl 2-phenylacetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:139-70-8
Pubchem (cid):8767
Pubchem (sid):134974242
 
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB37230
FooDB:FDB016237
Export Tariff Code:2916.35.1500
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
9-
decenal
FL/FR
TMH aldehyde
FR
N/i-
tridecanal
FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
animal
para-
cresyl phenyl acetate
FL/FR
chocolate
iso
amyl phenyl acetate
FL/FR
iso
butyl phenyl acetate
FL/FR
cocoa pentenal
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
iso
amyl undecylenate
FL/FR
benzyl acetate
FL/FR
benzyl phenyl acetate
FL/FR
citronellal
FL/FR
citronellol
FL/FR
citronellyl isovalerate
FL/FR
9-
decen-1-ol
FL/FR
dimethyl octanol
FL/FR
ethyl hydrocinnamate
FL/FR
ethyl phenyl acetate
FL/FR
gelsone (IFF)
FL/FR
genet concrete
FR
geraniol
FL/FR
geranyl acetone
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl hexanoate
FL/FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
geranyl propionate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal dimethyl acetal
FL/FR
hydroxycitronellol
FL/FR
linalyl phenyl acetate
FL/FR
methyl citronellate
FL/FR
muguet carbinol
FL/FR
neryl acetate
FL/FR
neryl phenyl acetate
FR
octyl acetate
FL/FR
octyl isovalerate
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
phenethyl acetate
FL/FR
phenethyl alcohol
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
rhodinol
FL/FR
rhodinyl phenyl acetate
FL/FR
rosa alba flower oil CO2 extract
FR
rose absolute (rosa centifolia)
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
rose butanoate
FL/FR
rose carboxylate
FR
rose oil (rosa centifolia) egypt
FL/FR
rose oil (rosa damascena) iran
FL/FR
rose oil (rosa damascena) russia
FL/FR
rose oil (rosa damascena) turkey
FL/FR
(E)-2-
undecen-1-ol
FL/FR
2-
undecen-1-ol
FL/FR
fruity
acetaldehyde dihexyl acetal
FL/FR
(E)-beta-
damascenone
FL/FR
beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
decyl butyrate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
geranyl butyrate
FL/FR
phenoxyethyl propionate
FL/FR
tropical ionone
FL/FR
green
2,6-
dimethyl octanal
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
2-
heptyl tetrahydrofuran
FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
hexyl phenyl acetate
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
clary sage absolute
FL/FR
beta-
elemene
FL/FR
geranium cyclohexane
FR
honey
butyl phenyl acetate
FL/FR
phenethyl furoate
FL/FR
powdery
dibenzyl ketone
FL/FR
spicy
alpha-
amyl cinnamyl alcohol
FL/FR
bayberry fragrance
FR
iso
eugenyl phenyl acetate
FL/FR
pimenta acris leaf oil
FL/FR
waxy
dihydrocitronellyl acetate
FL/FR
ethyl nonanoate
FL/FR
methyl butyl phenyl acetate
FL/FR
1-
undecanol
FL/FR
(E)-2-
undecen-1-yl acetate
FR
waxy acetate
FR
woody
sandal cyclopentane
FR
For Flavor
No flavor group found for these
iso
amyl undecylenate
FL/FR
citronellyl isovalerate
FL/FR
(E)-beta-
damascenone
FL/FR
9-
decenal
FL/FR
dihydrocitronellyl acetate
FL/FR
beta-
elemene
FL/FR
ethyl hydrocinnamate
FL/FR
linalyl phenyl acetate
FL/FR
octyl isovalerate
FL/FR
phenethyl furoate
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
(E)-2-
undecen-1-ol
FL/FR
2-
undecen-1-ol
FL/FR
beta-
damascone
FL/FR
aldehydic
aldehydic
1-
undecanol
FL/FR
balsamic
styrax gum (liquidambar styraciflua)
FL
bitter
dibenzyl ketone
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
cocoa
iso
butyl phenyl acetate
FL/FR
fatty
dimethyl octanol
FL/FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
iso
amyl phenyl acetate
FL/FR
citronellal
FL/FR
citronellol
FL/FR
cocoa pentenal
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
geraniol
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl acetone
FL/FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
methyl citronellate
FL/FR
muguet carbinol
FL/FR
neryl acetate
FL/FR
orris rhizome resinoid (iris pallida)
FL/FR
phenethyl alcohol
FL/FR
rhodinol
FL/FR
rose absolute (rosa centifolia)
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose oil (rosa centifolia) egypt
FL/FR
rose oil (rosa damascena) iran
FL/FR
rose oil (rosa damascena) russia
FL/FR
rose oil (rosa damascena) turkey
FL/FR
tropical ionone
FL/FR
fruity
benzyl acetate
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
decyl butyrate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
geranyl butyrate
FL/FR
geranyl hexanoate
FL/FR
hexyl phenyl acetate
FL/FR
rose butanoate
FL/FR
green
acetaldehyde dihexyl acetal
FL/FR
clary sage absolute
FL/FR
2,6-
dimethyl octanal
FL/FR
gelsone (IFF)
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
honey
benzyl phenyl acetate
FL/FR
butyl phenyl acetate
FL/FR
ethyl phenyl acetate
FL/FR
phenethyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
powdery
hydroxycitronellol
FL/FR
spicy
alpha-
amyl cinnamyl alcohol
FL/FR
iso
eugenyl phenyl acetate
FL/FR
pimenta acris leaf oil
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
waxy
9-
decen-1-ol
FL/FR
ethyl nonanoate
FL/FR
geranyl propionate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal dimethyl acetal
FL/FR
octyl acetate
FL/FR
phenoxyethyl propionate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
rhodinyl phenyl acetate
FL/FR
 
Potential Uses:
 blossom
 chocolate cocoa
FRhoney
FRhoneysuckle
FRnarcissus
FRneroli
FRorange blossom
FRrose
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetic acid, phenyl-, 3,7-dimethyl-6-octenyl ester
 benzene acetic acid 3,7-dimethyl-6-octenyl ester
 benzeneacetic acid, 3,7-dimethyl-6-octen-1-yl ester
 benzeneacetic acid, 3,7-dimethyl-6-octenyl ester
 citronellyl a-toluate
 citronellyl alpha-toluate
 citronellyl phenyl acetate S
 citronellyl phenylacetate
3,7-dimethyl-6-octen-1-yl phenyl acetate
3,7-dimethyl-6-octen-1-yl phenylacetate
3,7-dimethyl-6-octenyl benzene acetate
3,7-dimethyl-6-octenyl benzeneacetate
3,7-dimethyl-6-octenyl phenylacetate
3,7-dimethyloct-6-en-1-yl phenylacetate
3,7-dimethyloct-6-enyl 2-phenylacetate
3,7-dimethyloct-6-enyl phenylacetate
 phenyl acetic acid 3,7-dimethyl-6-octenyl ester
 
 
Notes:
Gives naturalness to blossom fragrances. Flavouring ingredient and flavour enhancer for fruit flavours. Not reported in nature
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