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

fir carboxylate
cistulate (Givaudan)

Sponsors

Name:methyl 6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
CAS Number: 52557-97-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:258-005-0
XlogP3-AA:2.80 (est)
Molecular Weight:182.26286000
Formula:C11 H18 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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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
Food Chemicals Codex Listed: No
Specific Gravity:1.00200 to 1.00700 @ 25.00 °C.
Pounds per Gallon - (est).: 8.338 to 8.379
Refractive Index:1.46600 to 1.47000 @ 20.00 °C.
Boiling Point: 80.00 °C. @ 3.00 mm Hg
Vapor Pressure:0.148000 mm/Hg @ 25.00 °C. (est)
Flash Point: 201.00 °F. TCC ( 93.89 °C. )
logP (o/w): 3.235 (est)
Soluble in:
 alcohol
 water, 66.57 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: balsamic
Odor Strength:medium
Substantivity:28 hour(s) at 100.00 %
natural pine fir needle green fruity woody
Odor Description:at 100.00 %. natural pine fir green fruity woody
Luebke, William tgsc, (1991)
Odor sample from: Quest International
Odor and/or flavor descriptions from others (if found).
Givaudan
Cistulate
Odor Description:Pine, Citrus, Fresh
Cistulate is a Mediterranean pine ingredient with a cistus character. At levels of up to 2% Cistulate modifies and freshens the top notes particularly in herbal and pine fragrances adding diffusivity, warmth and interest.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
CG Herbals
Cistulate
Odor: Pine, Citrus, Fresh
Use: Cistulate is a Mediterranean pine ingredient with a cistus character. At levels of up to 2% Cistulate modifies and freshens the top notes particularly in herbal and pine fragrances adding diffusivity, warmth and interest.
Givaudan
Cistulate
Odor: Pine, Citrus, Fresh
Use: Cistulate is a Mediterranean pine ingredient with a cistus character. At levels of up to 2% Cistulate modifies and freshens the top notes particularly in herbal and pine fragrances adding diffusivity, warmth and interest.
Lluch Essence
CISTULATE
Vigon International
Cistulate
Odor: Pine, Citrus, Fresh
 
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:
oral-mammal (species unspecified) LD50 5000 mg/kg
Pesticide & Toxic Chemical News. Vol. 9(45), Pg. 4, 1981.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for fir carboxylate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Recommendation for fir carboxylate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):52557-97-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :103659
National Institute of Allergy and Infectious Diseases:Data
methyl 6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
Chemidplus:0052557978
 
References:
 methyl 6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:52557-97-8
Pubchem (cid):103659
Pubchem (sid):135061007
 
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
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
himalayan
fir needle oil
FR
pine needle concrete
FR
cade leaf oil
FR
amber
amber
acetoxymethyl isolongifolene
FR
amber acetate
FR
amber butanol
FR
amber carane
FR
amber cyclohexanol
FR
amber oxepin
FR
amber specialty
FR
ambermax 50 (Givaudan)
FR
formoxymethyl isolongifolene
FR
hydroxymethyl isolongifolene 50% in dpg
FR
balsamic
abies alba cone oil
FR
abies alba leaf extract
FR
conifer acetate
FR
fir balsam absolute
FR
fir balsam absolute (abies balsamea)
FR
fir balsam concrete
FR
fir tree fragrance
FR
hexyl cinnamate
FR
mastic gum resin
FR
methyl hydrogenated rosinate
FR
opoponax resinoid (commiphora erythraea var. glabrescens engle)
FR
christmas
pine fragrance
FR
scotch
pine wood/needles resinoid
FR
red
spruce oil
FR
terpinyl benzoate
FR
camphoreous
hinoki leaf oil
FR
citrus
(R)-
citronellyl nitrile
FR
citrus specialty
FR
dusty
woody furan
FR
fatty
hexyl pivalate
FR
fir needle
abies amabilis oil canada
FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
anise indene
FR
boronia butenal
FR
cassis cyclohexene
FR
gamma-
damascone
FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
6,8-
dimethyl-2-nonanol
FR
jasmin cyclopentanol
FR
lily propanol
FR
(2-
methoxy-1-methyl propyl) benzene
FR
N-
methyl ionone
FR
orris pyridine 25% IPM
FR
tilia cordata flower oil CO2 extract
FR
fruity
allyl amyl glycolate
FR
3-
allyl oxy-1,4-dimethyl bicyclo(3.2.1)octane
FR
balsam specialty
FR
3-
butyl bicyclo[3.2.1]-6-octen-2-one
FR
2-tert-
butyl-5-methyl-2-propyl tetrahydrofuran
FR
1,4-
dibutyl-6,8-dioxabicyclo(3.2.1)octane
FR
1-(3,3-
dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehyde
FR
1,4-
dimethyl bicyclo(3.2.1)oct-3-yl acetate
FR
1,2-
dimethyl butyl 2-butenoate
FR
ethyl 2-cyclohexyl propionate
FR
ethyl 3,5,5-trimethyl hexanoate
FR
endo-
ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FR
fig crotonate
FR
fruity butanate
FR
green acetate
FR
heptanal cyclic ethylene acetal
FR
heptyl valerate
FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
nerolidyl isobutyrate
FR
(Z)-6-
nonen-1-al dimethyl acetal
FR
rhubarb undecane
FR
tropical indene
FR
tropical specialty
FR
green
acetaldehyde methyl hexyl acetal
FR
actinidia chinensis fruit water
FR
allyl phenethyl ether
FR
galbanum specialty
FR
green dioxolane
FR
herbal cyclohexane
FR
(Z)-3-
hexenyl methyl ether
FR
neogall
FR
pineapple heptadienone 10%
FR
1-[(3aS,7aR)-3a,4,7,7a-
tetrahydro-1H-inden-6-yl]ethanone
FR
violet dienyne
FR
herbal
bornyl salicylate
FR
fir needle oil replacer
FR
herbal specialty
FR
herbal undecanone
FR
6-
methoxy-2,6-dimethyl octanal
FR
methyl cyclogeranate (Firmenich)
FR
romanal
FR
tricyclodecenyl propionate
FR
tricyclodecyl acetate
FR
medicinal
kunzea ericoides leaf oil
FR
mossy
moss specialty
FR
oriental specialty
FR
oily
mcp acetate
FR
opoponax
opoponax resinoid replacer
FR
pine
abies sibirica needle extract
FR
evergreen fragrance
FR
pine specialty
FR
powdery
midnight passion fragrance
FR
spicy
N,N-
diethyl octanamide
FR
2,5-
dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate
FR
green oxane
FR
outdoors specialty
FR
woody
abies grandis oil canada
FR
abies lasiocarpa oil canada
FR
acetyl cedrene
FR
amber carbinol
FR
amber dioxane
FR
amber formate
FR
amber pentadecane
FR
cedarwood oil texas fractions
FR
alpha-
cedrene epoxide
FR
cedryl formate
FR
dragons blood fragrance
FR
douglas
fir oil
FR
frankincense resinoid replacer
FR
georgywood
FR
hydroxyambran
FR
juniper needle oil
FR
iso
longifolene ketone
FR
melozol acetate
FR
moss naphthaleneol
FR
(4aR,5R,7aS,9R)-
octahydro-2,2,5,8,8,9a-hexamethyl-4h-4a,9-methanoazuleno(5,6-d)-1,3-dioxole
FR
patchouli woody amber fragrance
FR
cis-2-
pinanol
FR
tetramethyl-4-methylene-2-heptanol
FR
tobacarol (IFF)
FR
1-(5',5',6'-
trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-one
FR
verdoxan
FR
vetiver specialty
FR
woody acetate
FR
woody cyclohexanone
FR
woody dioxolane
FR
woody nonane (ethoxy)
FR
For Flavor
No flavor group found for these
allyl tiglate
FL
(E,E)-2,4-
heptadien-1-ol
FL
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
hexyl (E)-2-hexenoate
FL
methyl 4-pentenoate
FL
(E)-2-
methyl-2-octenal
FL
2-
methyl-2-octenal
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
earthy
earthy
1-
hexen-3-yl acetate
FL
fruity
ethyl (E)-2-octenoate
FL
furfuryl propionate
FL
methyl (E)-3-nonenoate
FL
green
(E)-2-
hexenal diethyl acetal
FL
methyl 2-undecynoate
FL
sour
3-
methyl valeric acid
FL
 
Potential Uses:
FRamber
FRbalsam
 fir
FRfresh & clean
FRherbal
 natural
FRpine
FL/FRsage
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 cistulate (Givaudan)
2,2-dimethyl bicyclo(2.2.1)heptane-3-carboxylic acid methyl ester
2,2-dimethylbicyclo(2.2.1)heptane-3-carboxylic acid, methyl ester
 fir carboxylate
 methyl 3,3-dimethyl bicyclo(2.2.1)heptane-2-carboxylate
 methyl 6,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
 methyl camphenoate
 methyl dimethyl bicycloheptane carboxylate
 methyl-2,2-dimethyl bicyclo(2.2.1)heptane-3-carboxylate
 methylcamphenoate
 

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