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

herbal heptane
neoproxen

Sponsors

Fragrance Demo Formulas
Name:5-ethyl-2-methoxybicyclo[2.2.1]heptane
CAS Number: 122795-41-9Picture of molecule3D/inchi
ECHA ELINCS - REACH Pre-Reg:403-610-9
XlogP3-AA:2.60 (est)
Molecular Weight:152.23672000
Formula:C10 H16 O
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:1-ethyl-3-methoxytricycloheptane
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: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 194.00 to 196.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.585000 mm/Hg @ 25.00 °C. (est)
Flash Point: 145.00 °F. TCC ( 62.78 °C. )
logP (o/w): 2.855 (est)
Soluble in:
 alcohol
 water, 152.8 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 acid cleaner
 alcoholic lotion
 antiperspirant
 bleach
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 hypochlorite bleach
 shampoo
 soap
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:medium
Substantivity:2 hour(s) at 100.00 %
herbal green leafy citrus
Odor Description:at 100.00 %. herbal green leaf citrus
Odor and/or flavor descriptions from others (if found).
IFF
Neoproxen
Odor Description:Herbal, green leafy, citrus
Herbal, leafy and green with citrus notes. Stable in all functional media including hypochlorite bleach.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Azelis UK
NEOPROXEN
Services
BOC Sciences
For experimental / research use only.
Bicyclo[2.2.1]hept,2-eth-5(or 6)-methoxy Tricyclo[2.2.1.0(2,6)]hept 1-eth-3-methoxy
IFF
Neoproxen
Odor: Herbal, green leafy, citrus
Use: Herbal, leafy and green with citrus notes. Stable in all functional media including hypochlorite bleach.
Pell Wall Perfumes
Neoproxen
Taytonn
Neoproxen
Odor: Citrus, Green, Herbal/ Herbaceous, Leafy/ Leaf
 
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.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for herbal heptane usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for herbal heptane flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):122795-41-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :19792960
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
5-ethyl-2-methoxybicyclo[2.2.1]heptane
Chemidplus:0122795419
 
References:
 5-ethyl-2-methoxybicyclo[2.2.1]heptane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:122795-41-9
Pubchem (cid):19792960
Pubchem (sid):135203998
 
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:2909.20.0000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
agrumen nitrile
FR
green hexanal
FL/FR
animal
iso
butyl quinoline
FR
anisic
estragole
FL/FR
ocimum basilicum leaf oil america
FL/FR
balsamic
cinnamyl formate
FL/FR
christmas
pine fragrance
FR
caramellic
2-iso
butyl-3-methyl pyrazine
FL/FR
citrus
(S)-(-)-
citronellal
FL/FR
iso
decyl acetate
FR
neroli ketone
FR
ocimene quintoxide
FL/FR
petitgrain combava oil
FR
verbena absolute france
FL/FR
earthy
geosmin
FL/FR
(S)-1-
octen-3-ol
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
fatty
(E)-2-
octenal
FL/FR
2-
octenal
FL/FR
floral
allyl anthranilate
FL/FR
bigarade oxide
FR
cassis oxime 10%
FR
cilantro herb oil egypt
FL/FR
citronellyl butyrate
FL/FR
cymbopogon validus leaf oil
FR
dictamnus hispanicus oil
FR
dihydrocitronellyl ethyl ether
FR
dihydrorose oxide
FR
dimethyl benzyl carbinyl butyrate
FL/FR
2,4-
dimethyl-3-cyclohexene-1-methanol
FR
geranium oil egypt
FL/FR
geranium pyran
FR
geranium specialty
FR
linden flower absolute
FR
melaleuca ericifolia leaf oil
FR
para-
methyl benzyl acetate
FL/FR
nerolidol
FL/FR
neryl formate
FL/FR
3-
nonanone
FL/FR
iso
phytol
FL/FR
prenyl salicylate
FL/FR
rose pyran
FR
5-
tricyclodecenyl acetate
FR
fruity
3-
butyl bicyclo[3.2.1]-6-octen-2-one
FR
ethyl 2-ethyl acetoacetate
FL/FR
2-
hexen-1-ol
FL/FR
(E)-2-
hexen-1-ol
FL/FR
tropical indene
FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
agrumen aldehyde
FR
birch leaf specialty
FR
iso
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
S-sec-
butyl thioisovalerate
FL/FR
carrot leaf oil (daucus carota ssp.maximus)
FR
chrysanthemum carbaldehyde
FR
cilantro leaf oil
FL/FR
3,5,6-neo
cyclocitral
FR
heptanal (aldehyde C-7)
FL/FR
1-
heptanol
FL/FR
heptyl benzoate
FL/FR
heptyl cinnamate
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(Z)-3-
hexen-1-yl oxyacetaldehyde
FR
3-
hexenal
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
hexyl heptanoate
FL/FR
hexyl hexanoate
FL/FR
english
ivy leaf absolute
FR
lawsonia inermis leaf oil CO2 extract
FR
(Z)-
leaf acetal
FL/FR
marigold pot absolute
FL/FR
methyl heptine carbonate
FL/FR
6-
methyl-3-hepten-2-one
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
octanal dimethyl acetal
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
3-
phenyl propionaldehyde
FL/FR
3-
propyl bicyclo(3.2.1)-6-octen-2-one
FR
iso
propyl phenyl propionaldehyde
FR
rosa damascena leaf absolute
FR
rosacyanthin
FR
rose leaf absolute (rosa centifolia)
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
styralyl acetate
FL/FR
terpinyl propionate
FL/FR
triplal / ethyl anthranilate schiff's base
FR
violet leaf oil (viola odorata)
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
anethum graveolens herb oil
FL/FR
anethum graveolens herb tincture
FL/FR
anthemis nobilis flower extract
FL/FR
anthemis nobilis flower oil roman
FL/FR
apium graveolens seed oil
FL/FR
apium graveolens seed oil india
FL/FR
artemisia alba oil
FR
sweet
basil absolute
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
chrysanthemum ketone
FR
coriander oleoresin
FL/FR
dill weed oil cuba
FL/FR
dill weed oil reunion
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
2-(2,4-
dimethyl-3-cyclohexene-1-yl)-4,4-dimethyl-1,3-oxathiane
FR
cis-
herbal cyclohexane
FR
herbal dioxane
FR
hop absolute
FL/FR
hop oil
FL/FR
lantana camara flower oil
FR
linalyl octanoate
FL/FR
lovage tincture
FL/FR
marigold oil mexico
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
1-(2-
methyl allyl oxy) heptane
FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
monarda fistulosa oil
FR
nonisyl formate
FR
1-
octen-3-yl acetate
FL/FR
oregano specialty
FR
origanum oil
FL/FR
origanum oil greece
FL/FR
perilla leaf oil
FL/FR
perillaldehyde
FL/FR
petitgrain heptane
FR
petroselinum crispum seed oil CO2 extract
FL/FR
phenyl acetaldehyde diisoamyl acetal
FR
prenyl senecioate
FL/FR
reseda absolute
FR
rosmarinus officinalis extract
FL/FR
rosmarinus officinalis tincture
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
theaspirane
FL/FR
thyme absolute
FL/FR
tricyclodecyl acetate
FR
viridiflorol
FL/FR
wormwood oil america
FL/FR
wormwood oil italy
FL/FR
wormwood oil poland
FL/FR
minty
(-)-
menthone
FL/FR
iso
pulegyl formate
FL/FR
mossy
treemoss absolute
FR
soapy
methyl anthranilate / hexyl cinnamaldehyde schiff's base
FR
spicy
iso
butyl angelate
FL/FR
(-)-
cubenol
FL/FR
cuminaldehyde
FL/FR
iso
cyclogeraniol (IFF)
FR
origanum majorana oil
FL/FR
outdoors specialty
FR
spicy carbonate
FR
sulfurous
3-(
methyl thio) hexanol
FL/FR
waxy
decanal dimethyl acetal
FL/FR
methyl butyl phenyl acetate
FL/FR
woody
cinnamyl tiglate
FL/FR
dalbergia sissoo leaf oil
FR
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
verdoxan
FR
For Flavor
No flavor group found for these
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
6-
acetoxydihydrotheaspirane
FL/FR
allyl anthranilate
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
iso
butyl heptanoate
FL/FR
S-sec-
butyl thioisovalerate
FL/FR
cinnamyl tiglate
FL/FR
(S)-(-)-
citronellal
FL/FR
decanal dimethyl acetal
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
ethyl 4-pentenoate
FL/FR
heptyl benzoate
FL/FR
heptyl cinnamate
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
hexyl heptanoate
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
6-
methyl-3-hepten-2-one
FL/FR
(S)-1-
octen-3-ol
FL/FR
2-
octenal
FL/FR
perilla leaf oil
FL/FR
prenyl senecioate
FL/FR
iso
pulegyl formate
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
viridiflorol
FL/FR
citrus
citrus
cilantro leaf oil
FL/FR
verbena absolute france
FL/FR
cooling
theaspirane
FL/FR
earthy
geosmin
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
(E)-2-
octenal
FL/FR
floral
dimethyl benzyl carbinyl butyrate
FL/FR
geranium oil egypt
FL/FR
fruity
citronellyl butyrate
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
2-
hexen-1-ol
FL/FR
hexyl hexanoate
FL/FR
linalyl octanoate
FL/FR
para-
methyl benzyl acetate
FL/FR
neryl formate
FL/FR
styralyl acetate
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
anethum graveolens herb tincture
FL/FR
iso
butyl angelate
FL/FR
iso
butyl methyl ketone
FL/FR
2-iso
butyl-3-methyl pyrazine
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
coriander oleoresin
FL/FR
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
heptanal (aldehyde C-7)
FL/FR
(E)-2-
hexen-1-ol
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
3-
hexenal
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
(Z)-
leaf acetal
FL/FR
marigold pot absolute
FL/FR
methyl heptine carbonate
FL/FR
nerolidol
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
3-
nonanone
FL/FR
ocimene quintoxide
FL/FR
octanal dimethyl acetal
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
1-
octen-3-yl acetate
FL/FR
3-
phenyl propionaldehyde
FL/FR
rose leaf absolute (rosa centifolia)
FL/FR
terpinyl propionate
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
anethum graveolens herb oil
FL/FR
anthemis nobilis flower extract
FL/FR
anthemis nobilis flower oil roman
FL/FR
apium graveolens seed oil
FL/FR
apium graveolens seed oil india
FL/FR
sweet
basil absolute
FL/FR
cilantro herb oil egypt
FL/FR
dill weed oil cuba
FL/FR
dill weed oil reunion
FL/FR
green hexanal
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
lovage tincture
FL/FR
marigold oil mexico
FL/FR
ocimum basilicum leaf oil america
FL/FR
origanum majorana oil
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
petroselinum crispum seed oil CO2 extract
FL/FR
prenyl salicylate
FL/FR
rosmarinus officinalis extract
FL/FR
rosmarinus officinalis tincture
FL/FR
thyme absolute
FL/FR
wormwood oil america
FL/FR
wormwood oil italy
FL/FR
wormwood oil poland
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
licorice
estragole
FL/FR
metallic
3-(
methyl thio) hexanol
FL/FR
minty
(-)-
menthone
FL/FR
oily
iso
phytol
FL/FR
solvent
1-
heptanol
FL/FR
spicy
cinnamyl formate
FL/FR
(-)-
cubenol
FL/FR
cuminaldehyde
FL/FR
perillaldehyde
FL/FR
 
Potential Uses:
FRcitrus
FRgreen
FRherbal
 leaf
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 bicyclo(2.2.1)heptane, 2-ethyl-5(or 6)-methoxy & tricyclo(2.2.1.0 (2,6)heptane
 bicyclo[2.2.1]heptane, 2-ethyl-5-methoxy-
5-ethyl-2-methoxybicyclo[2.2.1]heptane
2-ethyl-5-methoxybicyclo(2.2.1)heptane
2-ethyl-5-methoxybicyclo[2.2.1]heptane
2-ethyl-5-methoxybicycloheptane
5-ethylbicyclo[2.2.1]hept-2-yl methyl ether
 herbal heptane
 neoproxen
 

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