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terpinyl isovalerate

Chemical Structure

General Material Information

Preferred name terpinyl isovalerate
Trivial Name 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 3-methylbutanoate
Short Description p-menth-1-en-8-yl isovalerate
Formula C15 H26 O2
CAS Number 1142-85-4
FEMA Number 3054
Flavis Number 9.461
FDA UNII 41N48S2I2I
Nikkaji Number J149.357D
COE Number 456
xLogP3-AA 3.70 (est)
NMR Predictor External link
JECFA Food Flavoring 372 terpinyl isovalerate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1142-85-4 ; TERPINYL ISOVALERATE
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
  • iso valeric acid para-menth-1-en-8-yl ester
  • 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl 3-methylbutanoate
  • Isovaleric acid, p-menth-1-en-8-yl ester
  • 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl 3-methylbutanoate
  • 2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl 3-methylbutanoate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
FDA Substances Added to Food (formerly 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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 238.37062072754
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 5.081 est
Solubility
alcohol Yes
water, very slightly Yes
water, 0.3455 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Balsamic
sweet, pine, frankincense, incense, orange, citrus
General comment At 100.00 %. sweet pine olibanum incense orange citrus
Flavor Type: Bitter
bitter, apple, fruity
General comment Bitter apple fruity

Occurrences

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
Click here to view publication 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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