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terpinyl isovalerate
p-menth-1-en-8-yl isovalerate

Sponsors

Name:2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl 3-methylbutanoate
CAS Number: 1142-85-4Picture of molecule3D/inchi
FDA UNII:41N48S2I2I
Nikkaji Web:J149.357D
CoE Number:456
XlogP3-AA:3.70 (est)
Molecular Weight:238.37062000
Formula:C15 H26 O2
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
JECFA Food Flavoring:372 terpinyl isovalerate
FLAVIS Number:09.461 (Old)
DG SANTE Food Flavourings:09.461 terpinyl isovalerate
FEMA Number:3054 terpinyl isovalerate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: TERPINYL ISOVALERATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear oily liquid (est)
Assay: 96.00 to 100.00
Equivalence Factor for Assay:119.00
Food Chemicals Codex Listed: No
Boiling Point: 248.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point:> 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 5.081 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 0.3455 mg/L @ 25 °C (est)
Insoluble in:
 water
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allyl valerate
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(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
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heptyl valerate
(E)-2-hexen-1-yl valerate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl valerate
linalyl isovalerate
menthyl valerate
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methyl 2-methyl valerate
methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
methyl valerate
methyl isovalerate
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neryl isovalerate
nonyl isovalerate
nonyl valerate
octyl valerate
octyl isovalerate
phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
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isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl valerate
 
Organoleptic Properties:
Odor Type: balsamic
Odor Strength:medium
sweet pine frankincense incense orange
Odor Description:at 100.00 %. sweet pine olibanum incense orange
Flavor Type: bitter
bitter apple
Taste Description: bitter apple
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
FEMA 3054
Penta International
TERPINYL ISOVALERATE, Kosher
Synerzine
Terpinyl Isovalerate
 
Safety Information:
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 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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: flavor and fragrance agents
Recommendation for terpinyl isovalerate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
 average usual ppmaverage maximum ppm
baked goods: 6.0000010.00000
beverages(nonalcoholic): 0.500005.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 2.600005.00000
fruit ices: 2.600005.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 6.0000010.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6
View page or View pdf

Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):1142-85-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :585911
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl 3-methylbutanoate
Chemidplus:0001142854
 
References:
 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1142-85-4
Pubchem (cid):585911
Pubchem (sid):135338783
Pherobase:View
 
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
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB40273
FooDB:FDB019991
Export Tariff Code:2915.60.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
pinoacetaldehyde
FR
amber
angelica root oil
FL/FR
balsamic
abies alba leaf extract
FR
arabinogalactan
CS
bornyl formate
FL/FR
fir balsam absolute
FR
fir needle oil terpeneless canada
FL/FR
mastic gum resin
FR
myrrh resin
FL/FR
opoponax absolute (commiphora erythraea var. glabrescens engle)
FL/FR
opoponax resinoid (commiphora erythraea var. glabrescens engle)
FR
(Z)-
pinane
FR
red
spruce oil
FR
verbenol
FL/FR
camphoreous
camphor tree bark oil
FL/FR
floral
terpinyl valerate
FL/FR
herbal
myrtenol
FL/FR
pinocarveol
FL/FR
musk
musk lactone
FR
pine
abies sibirica needle extract
FR
spicy
black
currant bud absolute
FL/FR
terpenic
cypress leaf oil
FR
frankincense oil
FL/FR
pine needle oil dwarf
FL/FR
pinus nigra twig leaf oil
FR
waxy
tetradecanal
FL/FR
woody
cyperus root oil (cyperus scariosus)
FR
frankincense resinoid
FL/FR
iso
longifolene ketone
FR
myoporum crassifolium wood oil
FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
bornyl formate
FL/FR
balsamic
balsamic
fir needle oil terpeneless canada
FL/FR
myrrh resin
FL/FR
opoponax absolute (commiphora erythraea var. glabrescens engle)
FL/FR
camphoreous
camphor tree bark oil
FL/FR
pinocarveol
FL/FR
fatty
tetradecanal
FL/FR
fruity
terpinyl valerate
FL/FR
green
angelica root oil
FL/FR
herbal
verbenol
FL/FR
minty
myrtenol
FL/FR
pine
pine needle oil dwarf
FL/FR
spicy
black
currant bud absolute
FL/FR
woody
frankincense oil
FL/FR
frankincense resinoid
FL/FR
 
Potential Uses:
FRapple
FRfrankincense
FRgenet
FRheather
FRincense
FRopoponax
FRoregano
FRtobacco
 
Occurrence (nature, food, other):note
 ferula persica willd. var. persica
Search Trop Picture
 
Synonyms:
 butanoic acid, 3-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
p-menth-1-en-8-yl 3-methyl butanoate
para-menth-1-en-8-yl 3-methyl butanoate
p-menth-1-en-8-yl 3-methyl butyrate
para-menth-1-en-8-yl 3-methyl butyrate
p-menth-1-en-8-yl 3-methylbutanoate
para-menth-1-en-8-yl 3-methylbutanoate
p-menth-1-en-8-yl 3-methylbutyrate
para-menth-1-en-8-yl 3-methylbutyrate
p-menth-1-en-8-yl isopentanoate
para-menth-1-en-8-yl isopentanoate
p-menth-1-en-8-yl isovalerate
para-menth-1-en-8-yl isovalerate
1-methyl-1-(4-methyl-3-cyclohexen-1-yl) ethyl 3-methyl butanoate
1-methyl-1-(4-methyl-3-cyclohexen-1-yl) ethyl 3-methylbutanoate
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl 3-methylbutanoate
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 3-methylbutanoate
 terpinyl iso-valerate
 terpinyl isopentanoate
a-terpinyl isovalerate
 terpinyl isovalerianate
isovaleric acid para-menth-1-en-8-yl ester
 

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Notes:
Flavouring ingredient
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