isobornyl methyl ether
(rel-2-methoxy-1,7,7-trimethyl bicyclo(2.2.1)heptane
 
Notes:
None found
  • BOC Sciences
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      Product(s):
      5331-32-8 (+/-)-Isobornyl methyl ether
       
  • Moellhausen
  • Penta International
    • Penta International Corporation
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      Product(s):
      09-36030 ISOBORNYL METHYL ETHER
       
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Fragrance Demo Formulas
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)
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
PubMed: Search
NCBI: Search
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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 mmHg @ 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
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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
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
(+/-)-Isobornyl methyl ether
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)
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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
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Safety in Use Information:
Category: flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for isobornyl methyl ether usage levels up to:
  10.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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
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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
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (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
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Potential Blenders and core components note
 
For Odor
balsamic
 abies alba cone oilFR
 abies alba leaf extractFR
 abies alba needle oilFL/FR
dextro-borneolFL/FR
dextro,laevo-borneolFL/FR
laevo-borneolFL/FR
 bornyl acetateFL/FR
laevo-bornyl acetateFL/FR
isobornyl propionateFL/FR
dextro-fenchoneFL/FR
 fir balsam absoluteFR
 fir balsam fragranceFR
 gurjun balsamFR
camphoreous
 bornyl ethyl ether 
2,6-dimethyl-3-oxatricyclo(4.2.1.0*2,4*)nonaneFR
 fencholFL/FR
laevo-fenchoneFL/FR
 hinoki leaf oilFR
chocolate
1,3,3,4,5,6-hexamethyl(2.2.2)bicyclooct-5-en-2-ol 
citrus
 ocimene quintoxideFL/FR
earthy
(-)-alpha-fencholFL/FR
scotch pine needle oilFL/FR
scotch pine needle oil estoniaFL/FR
scotch pine needle oil yugoslaviaFL/FR
floral
 bois de rose oil peruFL/FR
 ho leaf oilFR
 verdyl acetateFR
fruity
3-allyl oxy-1,4-dimethyl bicyclo(3.2.1)octaneFR
isobutyl furyl propionateFL/FR
1,3,3,5-tetramethyl-7 and 8-acetyl bicyclo(2.2.2)oct-5-ene 
herbal
1-allyl-2,2,7,7-tetramethyl cycloheptanolFR
 barosma betulina leaf oilFL/FR
 dimethyl cyclormol (IFF)FR
 geranic oxideFL/FR
 herbal dioxaneFR
 herbal specialtyFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 hyssop oilFL/FR
 lavandin concreteFL/FR
 methyl cyclogeranate (Firmenich)FR
 myrtenolFL/FR
 nopyl acetateFR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 pine hexanolFR
laevo-beta-pineneFL/FR
alpha-pineneFL/FR
 pinocarveolFL/FR
 rosemary absoluteFL/FR
 rosemary oilFL/FR
 rosemary oil africaFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil replacerFR
 rosemary oil spainFL/FR
 rosemary oil tunisiaFL/FR
 terpineols (unspec.) (mixed isomers)FL/FR
 terpinoleneFL/FR
 peppermint cyclohexanoneFL/FR
minty
5- and 6-isopropyl-1,3,3-trimethyl bicyclo(2.2.2)-5,7-octadien-2-one 
pine
 cypress oil replacerFR
 evergreen fragranceFR
white pine bark oilFL/FR
spicy
 ayou wood oilFR
 carvacrolFL/FR
 ginger fragranceFR
 ginger root oil chinaFL/FR
 ginger root oil replacerFR
 ginger specialtyFR
 outdoors specialtyFR
white sassafras oilFL/FR
terpenic
 cypress leaf oilFR
D-(+)-beta-pineneFL/FR
thujonic
 cedarleaf oil terpenelessFR
woody
isobornyl isovalerateFL/FR
2-tert-butyl cyclohexanoneFR
 cedarwood oil port orfordFR
3,7-dimethyl-1-octene 
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
1,2,3,3,4,5,6-heptamethyl bicyclo(2.2.2)oct-5-en-2-ol 
1,3,3,4,5,6-hexamethyl bicyclo(2.2.2)oct-5-en-2-one 
 hinoki root oilFR
 juniper berry oil terpenesFR
para-menth-3-en-1-olFL/FR
6-methoxy-1,6,7-trimethyl octahydro-4,7-methanoindene + 5-methoxy-2,4,5-trimethyl octahydro-4,7-methan 
 myoporum crassifolium wood oilFR
(-)-myrtenol 
 myrtenyl formateFL/FR
 myrtenyl isobutyrate 
 nopyl aldehydeFR
cis-2-pinanolFR
1,3,3,5-tetramethyl-7 and 8-cyanobicyclo(2.2.2)oct-5-ene 
 
For Flavor
 
No flavor group found for these
dextro,laevo-borneolFL/FR
dextro-borneolFL/FR
3,7-dimethyl-1-octene 
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
1,2,3,3,4,5,6-heptamethyl bicyclo(2.2.2)oct-5-en-2-ol 
1,3,3,4,5,6-hexamethyl bicyclo(2.2.2)oct-5-en-2-one 
1,3,3,4,5,6-hexamethyl(2.2.2)bicyclooct-5-en-2-ol 
para-menth-3-en-1-olFL/FR
6-methoxy-1,6,7-trimethyl octahydro-4,7-methanoindene + 5-methoxy-2,4,5-trimethyl octahydro-4,7-methan 
 myrtenyl formateFL/FR
 myrtenyl isobutyrate 
white pine bark oilFL/FR
scotch pine needle oilFL/FR
scotch pine needle oil estoniaFL/FR
scotch pine needle oil yugoslaviaFL/FR
D-(+)-beta-pineneFL/FR
laevo-beta-pineneFL/FR
5- and 6-isopropyl-1,3,3-trimethyl bicyclo(2.2.2)-5,7-octadien-2-one 
white sassafras oilFL/FR
 terpineols (unspec.) (mixed isomers)FL/FR
1,3,3,5-tetramethyl-7 and 8-acetyl bicyclo(2.2.2)oct-5-ene 
1,3,3,5-tetramethyl-7 and 8-cyanobicyclo(2.2.2)oct-5-ene 
isobutyl furyl propionateFL/FR
balsamic
laevo-bornyl acetateFL/FR
isobornyl propionateFL/FR
camphoreous
laevo-borneolFL/FR
 bornyl acetateFL/FR
 bornyl ethyl ether 
(-)-alpha-fencholFL/FR
 fencholFL/FR
laevo-fenchoneFL/FR
 geranic oxideFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 pinocarveolFL/FR
 rosemary oil tunisiaFL/FR
cooling
dextro-fenchoneFL/FR
isomentholFL
floral
 bois de rose oil peruFL/FR
green
 ocimene quintoxideFL/FR
herbal
 barosma betulina leaf oilFL/FR
 hyssop oilFL/FR
 lavandin concreteFL/FR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 rosemary absoluteFL/FR
 rosemary oilFL/FR
 rosemary oil africaFL/FR
 rosemary oil moroccoFL/FR
 rosemary oil spainFL/FR
mentholic
 peppermint cyclohexanoneFL/FR
minty
(-)-myrtenol 
 myrtenolFL/FR
spicy
 carvacrolFL/FR
 ginger root oil chinaFL/FR
white pepper oleoresinFL
terpenic
 abies alba needle oilFL/FR
para-menthatrieneFL
woody
isobornyl isovalerateFL/FR
alpha-pineneFL/FR
 terpinoleneFL/FR
 
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Potential Uses:
 camphor tree barkFL/FR
 cypress oil replacerFR
 fir 
 herbalFR
 pineFR
 woodyFR
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Occurrence (nature, food, other): note
 found in nature
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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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