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

fruity carboxylate
fruitate

Supplier Sponsors

Name:(3aalpha,4beta,7beta,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester
CAS Number: 80623-07-0Picture of molecule3D/inchi
XlogP3-AA:3.40 (est)
Molecular Weight:208.30080000
Formula:C13 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:(3aalpha,4alpha,7alpha,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester
CAS Number: 80657-64-3Picture of molecule3D/inchi
ECHA ELINCS - REACH Pre-Reg:407-520-0
XlogP3-AA:3.40 (est)
Molecular Weight:208.30080000
Formula:C13 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
Category: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
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:1.03400 to 1.05100 @ 20.00 °C.
Pounds per Gallon - (est).: 8.614 to 8.756
Refractive Index:1.48200 to 1.48800 @ 20.00 °C.
Boiling Point: 254.00 to 261.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.011000 mm/Hg @ 25.00 °C. (est)
Flash Point: 218.00 °F. TCC ( 103.33 °C. )
logP (o/w): 3.699 (est)
Soluble in:
 alcohol
 water, 34.14 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 ph from 1.5 - 11
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
Substantivity:144 hour(s) at 100.00 %
sweet fruity rummy candy floral ripe
Odor Description:at 100.00 %. sweet fruity rum candy floral ripe
Luebke, William tgsc, (1991)
Odor sample from: Kao Corporation
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data2
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Associate Allied Chemicals
Fruitate
About
BOC Sciences
For experimental / research use only.
4,7-Methano-3aH-indene-3a-carboxylicacid, octahydro-, ethyl ester, (3aR,4R,7S,7aR)-rel-
Bontoux
FRUITATE
Diffusions Aromatiques
FRUITATE
Ernesto Ventós
FRUITATE KAO
Odor: FRUITY, CITRUSY AND WOODY
Indukern F&F
FRUITATE
Odor: FRUITY, CITRUS, WOODY
Kao Corporation
FRUITATE
Odor: A floral fruity note having a citrus nuance; diffusive and powerful blending agent gives fruity tone
Moellhausen
FRUITATE
Penta International
FRUITATE
Stort Chemicals
Fruitate
The John D. Walsh Company
Fruitate
The Lermond Company
Fruitate
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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 > 5000 mg/kg
Kao Corporation

Dermal Toxicity:
skin-rabbit LD50 > 2000 mg/kg
Kao Corporation

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for fruity carboxylate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for fruity carboxylate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :157342
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(3aalpha,4beta,7beta,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester
Chemidplus:0080623070
(3aalpha,4alpha,7alpha,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester
Chemidplus:080657643
 
References:
 (3aalpha,4beta,7beta,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:80623-07-0
Pubchem (cid):157342
Pubchem (sid):135114603
 (3aalpha,4alpha,7alpha,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:80657-64-3
Pubchem (cid):157343
Pubchem (sid):734759
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2916.20.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
citrus carbaldehyde
FR
balsamic
iso
amyl benzoate
FL/FR
iso
amyl pyruvate
FL/FR
amyris wood oil
FL/FR
benzyl cinnamate
FL/FR
iso
butyl cinnamate
FL/FR
cinnamyl alcohol
FL/FR
ethyl cinnamate
FL/FR
fir needle oil siberia
FL/FR
berry
raspberry ketone
FL/FR
citrus
grapefruit oil c.p. california
FL/FR
grapefruit pentanol
FR
lemon oil c.p. california
FL/FR
lime oil distilled mexico
FL/FR
methyl heptenone
FL/FR
blood
orange oil italy
FL/FR
sweet
orange peel oil c.p. brazil
FL/FR
tetrahydromyrcenol
FR
ethereal
decyl propionate
FL/FR
ethyl pyruvate
FL/FR
propyl formate
FL/FR
fermented
ethyl crotonate
FL/FR
floral
iso
amyl salicylate
FL/FR
benzyl acetate
FL/FR
benzyl alcohol
FL/FR
benzyl isobutyrate
FL/FR
bois de rose oil brazil
FL/FR
citronellyl acetate
FL/FR
coriander seed oil
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
ethyl hydrocinnamate
FL/FR
floral pyranol
FR
gardenia oxide
FR
geranyl acetate
FL/FR
linalool
FL/FR
linalool oxide
FL/FR
methyl dihydrojasmonate
FL/FR
neryl acetate
FL/FR
ocean propanal
FL/FR
peony alcohol
FR
petitgrain oil paraguay
FL/FR
phenethyl acetate
FL/FR
tetrahydrolinalool
FL/FR
violet methyl carbonate
FR
fruity
allyl amyl glycolate
FR
allyl cyclohexyl propionate
FL/FR
allyl hexanoate
FL/FR
bitter
almond oil
FL/FR
iso
amyl acetate
FL/FR
iso
amyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
benzyl propionate
FL/FR
cyclohexanone diethyl acetal
FL/FR
gamma-
decalactone
FL/FR
ethyl (E)-3-hexenoate
FL/FR
ethyl 2-hexenoate
FL/FR
ethyl acetoacetate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl propionate
FL/FR
green acetate
FR
hexyl acetate
FL/FR
hexyl isovalerate
FL/FR
methyl propionate
FL/FR
2-
phenyl propyl butyrate
FL/FR
prenyl formate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
styryl acetate
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
galbanum oil
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
melon nonenoate
FL/FR
(Z)-5-
octen-1-ol
FL/FR
styralyl acetate
FL/FR
herbal
clary sage oil france
FL/FR
eucalyptus globulus oil
FL/FR
linalyl acetate
FL/FR
alpha-
terpinyl acetate
FL/FR
honey
allyl phenyl acetate
FL/FR
melon
melon heptenal
FL/FR
minty
spearmint oil america
FL/FR
powdery
para-
anisyl acetate
FL/FR
spicy
cassia bark oil china
FL/FR
terpenic
alpha-
terpineol
FL/FR
waxy
ethyl nonanoate
FL/FR
woody
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
iso
amyl pyruvate
FL/FR
cyclohexanone diethyl acetal
FL/FR
decyl propionate
FL/FR
ethyl 2-hexenoate
FL/FR
ethyl hydrocinnamate
FL/FR
prenyl formate
FL/FR
styryl acetate
FL/FR
balsamic
balsamic
iso
butyl cinnamate
FL/FR
ethyl cinnamate
FL/FR
fir needle oil siberia
FL/FR
berry
raspberry ketone
FL/FR
citrus
grapefruit oil c.p. california
FL/FR
lemon oil c.p. california
FL/FR
lime oil distilled mexico
FL/FR
linalool
FL/FR
blood
orange oil italy
FL/FR
sweet
orange peel oil c.p. brazil
FL/FR
alpha-
terpineol
FL/FR
creamy
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
estery
ethyl acetoacetate
FL/FR
floral
bois de rose oil brazil
FL/FR
citronellyl acetate
FL/FR
linalyl acetate
FL/FR
methyl dihydrojasmonate
FL/FR
neryl acetate
FL/FR
ocean propanal
FL/FR
tetrahydrolinalool
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
allyl hexanoate
FL/FR
bitter
almond oil
FL/FR
iso
amyl acetate
FL/FR
iso
amyl benzoate
FL/FR
para-
anisyl acetate
FL/FR
benzyl acetate
FL/FR
benzyl alcohol
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
gamma-
decalactone
FL/FR
ethyl (E)-3-hexenoate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl propionate
FL/FR
hexyl acetate
FL/FR
methyl propionate
FL/FR
propyl formate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
styralyl acetate
FL/FR
green
iso
amyl isovalerate
FL/FR
iso
amyl salicylate
FL/FR
cinnamyl alcohol
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
galbanum oil
FL/FR
geranyl acetate
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
linalool oxide
FL/FR
melon heptenal
FL/FR
melon nonenoate
FL/FR
methyl heptenone
FL/FR
(Z)-5-
octen-1-ol
FL/FR
herbal
clary sage oil france
FL/FR
coriander seed oil
FL/FR
eucalyptus globulus oil
FL/FR
petitgrain oil paraguay
FL/FR
honey
allyl phenyl acetate
FL/FR
phenethyl acetate
FL/FR
minty
spearmint oil america
FL/FR
rummy
ethyl crotonate
FL/FR
ethyl pyruvate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
spicy
benzyl cinnamate
FL/FR
cassia bark oil china
FL/FR
2-
phenyl propyl butyrate
FL/FR
waxy
iso
amyl butyrate
FL/FR
ethyl nonanoate
FL/FR
woody
amyris wood oil
FL/FR
alpha-
terpinyl acetate
FL/FR
 
Potential Uses:
FRapple
FRapple blossom
 apple crabapple
FRapple green apple
FRapple red apple
FRapricot
 arrack
FRbanana
 bark
FRbergamot
FRberry jam
 blossom tropical blossom
 bramble arctic bramble blackberry
FLbrandy
FLcheese romano cheese
FLcheese swiss cheese
FRcherry black cherry
FRcherry blossom
 cider
FRcitronella
FRcitrus
 cloudberry bakeapple
FRcrabapple blossom
FL/FRcurrant bud absolute replacer
FRdate
FReglantine
FRelder berry
 foliage
FRgingergrass
FRgooseberry
FRgrape
FLgrape white grape
FRgrapefruit
FRgreen grass
FRhibiscus
FRiris blossom
FLjackfruit
FRjasmin
FRkiwi
 kiwi blossom
FRkumquat
FRlavender
FRlicorice
FRlychee
FRmandarin
FRmango
FL/FRmarigold
 melon watermelon muskmelon cantaloupe
FRmyrtle oil replacer
 nectarine
FRorange
FRosmanthus
FRpapaya
FRpassion fruit
FRpeach
FRpeach blossom
FRpear
FLpear bartlett pear
FRpear blossom
 pear emperor pear
FRpineapple
FRplum
 plum blossom
FLplum greengage plum
FRplum mirabelle plum
 plum mirabille blossom
FRpomegranate
FRrose
 rose wild rose
FL/FRrue
FLrum butter
FLsarsaparilla
FRspearmint
FLstarfruit
FRtangerine
FLtea
FLtea black tea
FLtropical
FRtuberose
FL/FRvalerian
FRwine
FRwintergreen
FL/FRyerba mate
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 ethyl (1R,2R,6R,7S)-tricyclo[5.2.1.02,6]decane-2-carboxylate
 ethyl hexahydro-4,7-methanoindane-3alpha-carboxylate
 ethyl-3aalpha,4alpha,7alpha,7aalpha-octahydro-4,7-methanoindene-3a-carboxylate
 ethyl-3aalpha,4beta,7beta,7aalpha-octahydro-4,7-methanoindene-3a-carboxylate
 fruitate
 fruity carboxylate
4,7-methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aa,4β,7β,7aa)-
4,7-methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aalpha,4beta,7beta,7aalpha)-
(3aalpha,4alpha, 7alpha,7aalpha)-octahydro-4,7-methano-3ah-indene-3a-carboxylic acid ethyl ester
(3aalpha,4beta,7beta,7aalpha)-octahydro-4,7-methano-3aH-indene-3a-carboxylic acid ethyl ester
 

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