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

myrtenyl isobutyrate
2-pinen-10-yl isobutyrate

Supplier Sponsors

Name:(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl 2-methylpropanoate
CAS Number: 29021-37-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:249-372-8
FDA UNII: Search
Nikkaji Web:J430.607D
XlogP3-AA:3.20 (est)
Molecular Weight:222.32774000
Formula:C14 H22 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96300 to 0.96800 @ 25.00 °C.
Pounds per Gallon - (est).: 8.013 to 8.055
Boiling Point: 275.00 to 276.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.005000 mmHg @ 25.00 °C. (est)
Flash Point: 203.00 °F. TCC ( 95.00 °C. )
logP (o/w): 4.242 (est)
Soluble in:
 alcohol
 water, 3.129 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: woody
fruity woody pine
Odor Description:at 100.00 %. fruity woody pine
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Pinen-10-yl isobutyrate
 
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:
natural substances and extractives
Recommendation for myrtenyl isobutyrate usage levels up to:
 not for fragrance use.
 
Recommendation for myrtenyl isobutyrate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :119853
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl 2-methylpropanoate
Chemidplus:0029021372
 
References:
 (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl 2-methylpropanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):119853
Pubchem (sid):135076492
 
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:2915.60.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
2-
methyl-2-pentenoic acid
FL/FR
alcoholic
fusel oil
FL/FR
balsamic
laevo-
borneol
FL/FR
dextro,laevo-
borneol
FL/FR
laevo-
bornyl acetate
FL/FR
bornyl acetate
FL/FR
iso
bornyl methyl ether
FL/FR
fir carboxylate
FR
gurjun balsam
FR
camphoreous
fenchol
FL/FR
earthy
scotch
pine needle oil
FL/FR
scotch
pine needle oil estonia
FL/FR
scotch
pine needle oil yugoslavia
FL/FR
fatty
hexyl pivalate
FR
floral
anise indene
FR
boronia absolute
FL/FR
beta-
ionone
FL/FR
N-
methyl ionone
FR
alpha-iso
methyl ionone (90% min.)
FL/FR
petitgrain lemon oil
FL/FR
verdyl acetate
FR
fruity
iso
butyl furyl propionate
FL/FR
dihydroactinidolide
FL/FR
green acetate
FR
linalool oxide acetates
FL/FR
herbal
coriander oleoresin
FL/FR
herbal undecanone
FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
methyl cyclogeranate (Firmenich)
FR
myrtenol
FL/FR
nonisyl acetate
FR
nopyl acetate
FR
laevo-beta-
pinene
FL/FR
pinocarveol
FL/FR
terpinolene
FL/FR
spicy
clove bud oil
FL/FR
N,N-
diethyl octanamide
FR
terpenic
cypress leaf oil
FR
D-(+)-beta-
pinene
FL/FR
woody
cedarwood oil port orford
FR
2-
decalinyl acetate
FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-ol
FL/FR
myrtenyl formate
FL/FR
nopyl aldehyde
FR
patchouli absolute
FR
cis-2-
pinanol
FR
For Flavor
No flavor group found for these
dextro,laevo-
borneol
FL/FR
iso
bornyl methyl ether
FL/FR
dihydroactinidolide
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-ol
FL/FR
linalool oxide acetates
FL/FR
myrtenyl formate
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
iso
butyl furyl propionate
FL/FR
balsamic
balsamic
laevo-
bornyl acetate
FL/FR
camphoreous
laevo-
borneol
FL/FR
bornyl acetate
FL/FR
fenchol
FL/FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
pinocarveol
FL/FR
citrus
petitgrain lemon oil
FL/FR
floral
alpha-iso
methyl ionone (90% min.)
FL/FR
fruity
boronia absolute
FL/FR
fusel oil
FL/FR
herbal
coriander oleoresin
FL/FR
minty
myrtenol
FL/FR
sour
2-
methyl-2-pentenoic acid
FL/FR
spicy
clove bud oil
FL/FR
white
pepper oleoresin
FL
woody
beta-
ionone
FL/FR
terpinolene
FL/FR
 
Potential Uses:
FRbergamot
 modifier
FRoriental
FRpine
FRwoody
 
Occurrence (nature, food, other):note
 chamomile oil @ 0.05%
Data GC Search Picture
 
Synonyms:
(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl 2-methylpropanoate
(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl 2-methylpropanoate
(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 2-methylpropanoate
2-pinen-10-yl 2-methyl propionate
2-pinen-10-yl isobutyrate
 
 
Notes:
None found
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