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

isobornyl methyl ether
(rel-2-methoxy-1,7,7-trimethyl bicyclo(2.2.1)heptane

Sponsors

Fragrance Demo Formulas
Name: 6-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CAS Number: 5331-32-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 226-228-2
Nikkaji Web: J443.418H
XlogP3: 3.30 (est)
Molecular Weight: 168.27960000
Formula: C11 H20 O
NMR Predictor: Predict (works with chrome or firefox)
Name: (1S,4R,6S)-6-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CAS Number: 5331-32-8 (SRS)Picture of molecule3D/inchi
XlogP3: 3.30 (est)
Molecular Weight: 168.27960000
Formula: C11 H20 O
BioActivity Summary: listing
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
 
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.91900 to 0.93000 25.00 °C.
Pounds per Gallon - (est).: 7.647 to 7.739
Refractive Index: 1.46300 @ 20.00 °C.
Boiling Point: 70.00 °C. @ 10.00 mm Hg
Vapor Pressure: 1.000000 mm/Hg @ 20.00 °C.
Vapor Density: 5.8 ( Air = 1 )
Flash Point: 142.00 °F. TCC ( 61.11 °C. )
logP (o/w): 3.340
Soluble in:
 alcohol
 water, 58.15 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: balsamic
Odor Strength: medium
Substantivity: > 2 hour(s) at 100.00 %
 pine woody camphoreous balsamic
Odor Description:
at 100.00 %.
pine woody camphor borneol
Luebke, William tgsc, (1987)
Odor and/or flavor descriptions from others (if found).
Takasago
Isobornyl Methyl Ether Biobased 90%
Odor Description: Pine
Can be used in herbal, pine, and woody fragrances.
Moellhausen
isoBORNYL METHYLETHER
Odor Description: fresh, camphoraceous, pine
Taste Description: camphoraceous, green
 
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Moellhausen
isoBORNYL METHYLETHER
Odor: fresh, camphoraceous, pine
Flavor: camphoraceous, green
Penta International
ISOBORNYL METHYL ETHER
Santa Cruz Biotechnology
For experimental / research use only.
(±)-isoBornyl Methyl Ether
Sigma-Aldrich: Aldrich
For experimental / research use only.
(±)-Isobornyl methyl ether purum, ≥97.0% (GC)
Takasago
Isobornyl Methyl Ether
Biobased 90%
Odor: Pine
Use: Can be used in herbal, pine, and woody fragrances.
The Fragrance Museum
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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:
Undiluted liquid reported to be a skin irritant.
Oral/Parenteral Toxicity:
oral-rat LDLo 5000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 53S, 1992.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 53S, 1992.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for isobornyl methyl ether usage levels up to:
  10.0000 % in the fragrance concentrate.
 
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 5331-32-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 95330
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1993
WGK Germany: 2
 6-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
Chemidplus: 0005331328
RTECS: DT5078000 for cas# 5331-32-8
 (1S,4R,6S)-6-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
 
References:
 6-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5331-32-8
Pubchem (cid): 95330
Pubchem (sid): 135054724
 (1S,4R,6S)-6-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5331-32-8
Pubchem (cid): 220050
Pubchem (sid): 68957
 
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
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
 
Potential Blenders and core components note
For Odor
balsamic
abies alba cone oil
FR
abies alba needle oil
FL/FR
laevo-
borneol
FL/FR
dextro-
borneol
FL/FR
dextro,laevo-
borneol
FL/FR
bornyl acetate
FL/FR
laevo-
bornyl acetate
FL/FR
iso
bornyl propionate
FL/FR
dextro-
fenchone
FL/FR
fir balsam absolute
FR
gurjun balsam
FR
camphoreous
2,6-
dimethyl-3-oxatricyclo(4.2.1.0*2,4*)nonane
FR
fenchol
FL/FR
laevo-
fenchone
FL/FR
hinoki leaf oil
FR
citrus
ocimene quintoxide
FL/FR
earthy
(-)-alpha-
fenchol
FL/FR
scotch
pine needle oil
FL/FR
scotch
pine needle oil estonia
FL/FR
scotch
pine needle oil yugoslavia
FL/FR
floral
bois de rose oil peru
FL/FR
ho leaf oil
FR
verdyl acetate
FR
fruity
3-
allyl oxy-1,4-dimethyl bicyclo(3.2.1)octane
FR
iso
butyl furyl propionate
FL/FR
herbal
1-
allyl-2,2,7,7-tetramethyl cycloheptanol
FR
barosma betulina leaf oil
FL/FR
dimethyl cyclormol (IFF)
FR
geranic oxide
FL/FR
herbal dioxane
FR
herbal specialty
FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
hyssop oil
FL/FR
lavandin concrete
FL/FR
methyl cyclogeranate (Firmenich)
FR
myrtenol
FL/FR
nopyl acetate
FR
origanum oil
FL/FR
origanum oil greece
FL/FR
pine hexanol
FR
alpha-
pinene
FL/FR
laevo-beta-
pinene
FL/FR
pinocarveol
FL/FR
rosemary absolute
FL/FR
rosemary oil
FL/FR
rosemary oil africa
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
rosemary oil tunisia
FL/FR
terpineols (unspec.) (mixed isomers)
FL/FR
terpinolene
FL/FR
mentholic
peppermint cyclohexanone
FL/FR
pine
evergreen fragrance
FR
white
pine bark oil
FL/FR
spicy
ayou wood oil
FR
carvacrol
FL/FR
outdoors specialty
FR
white
sassafras oil
FL/FR
terpenic
cypress leaf oil
FR
D-(+)-beta-
pinene
FL/FR
thujonic
cedarleaf oil terpeneless
FR
woody
iso
bornyl isovalerate
FL/FR
2-tert-
butyl cyclohexanone
FR
cedarwood oil port orford
FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-ol
FL/FR
hinoki root oil
FR
juniper berry oil terpenes
FR
para-
menth-3-en-1-ol
FL/FR
myoporum crassifolium wood oil
FR
myrtenyl formate
FL/FR
nopyl aldehyde
FR
cis-2-
pinanol
FR
For Flavor
No flavor group found for these
dextro-
borneol
FL/FR
dextro,laevo-
borneol
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-ol
FL/FR
para-
menth-3-en-1-ol
FL/FR
myrtenyl formate
FL/FR
white
pine bark oil
FL/FR
scotch
pine needle oil
FL/FR
scotch
pine needle oil estonia
FL/FR
scotch
pine needle oil yugoslavia
FL/FR
D-(+)-beta-
pinene
FL/FR
laevo-beta-
pinene
FL/FR
white
sassafras oil
FL/FR
terpineols (unspec.) (mixed isomers)
FL/FR
iso
butyl furyl propionate
FL/FR
balsamic
balsamic
laevo-
bornyl acetate
FL/FR
iso
bornyl propionate
FL/FR
camphoreous
laevo-
borneol
FL/FR
bornyl acetate
FL/FR
(-)-alpha-
fenchol
FL/FR
fenchol
FL/FR
laevo-
fenchone
FL/FR
geranic oxide
FL/FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
pinocarveol
FL/FR
rosemary oil tunisia
FL/FR
cooling
dextro-
fenchone
FL/FR
iso
menthol
FL
floral
bois de rose oil peru
FL/FR
green
ocimene quintoxide
FL/FR
herbal
barosma betulina leaf oil
FL/FR
hyssop oil
FL/FR
lavandin concrete
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
rosemary absolute
FL/FR
rosemary oil
FL/FR
rosemary oil africa
FL/FR
rosemary oil morocco
FL/FR
rosemary oil spain
FL/FR
mentholic
peppermint cyclohexanone
FL/FR
minty
myrtenol
FL/FR
spicy
carvacrol
FL/FR
white
pepper oleoresin
FL
terpenic
abies alba needle oil
FL/FR
woody
iso
bornyl isovalerate
FL/FR
alpha-
pinene
FL/FR
terpinolene
FL/FR
 
Potential Uses:
 camphorFL/FR
 cypressFR
 fir 
 herbalFR
 pineFR
 woodyFR
 
Occurrence (nature, food, other): note
 found in nature
 
Synonyms:
 bicyclo(2.2.1)heptane, 2-methoxy-1,7,7-trimethyl-, exo-
 bicyclo[2.2.1]heptane, 2-methoxy-1,7,7-trimethyl-
 bornane, 2-methoxy-, exo-
isoborneol methyl ether
(±)-isobornyl methyl ether
isobornyl methylether
 ether, isobornyl methyl
(rel-2-methoxy-1,7,7-trimethyl bicyclo(2.2.1)heptane
exo-2-methoxy-1,7,7-trimethyl bicyclo(2.2.1)heptane
exo-2-methoxy-1,7,7-trimethyl norbornane
exo-2-methoxy-1,7,7-trimethylbicyclo(2.2.1)heptane
2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
6-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
exo-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
 methoxy-1,7,7-trimethylnorbornane
exo-2-methoxybornane
 

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