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terpinyl butyrate

Chemical Structure

General Material Information

Preferred name terpinyl butyrate
Trivial Name α-Terpinyl butyrate
Short Description p-menth-1-en-8-yl butyrate
Formula C14 H24 O2
CAS Number 2153-28-8
FEMA Number 3049
Flavis Number 9.052
ECHA Number 218-445-6
FDA UNII L94B6AU40N
Nikkaji Number J149.358B
MDL MFCD00083087
COE Number 278
xLogP3-AA 3.20 (est)
NMR Predictor External link
JECFA Food Flavoring 370 terpinyl butyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2153-28-8 ; TERPINYL BUTYRATE
Synonyms
  • butanoic acid 1-methyl-1-(4-methyl-3-cyclohexen-1-yl) ethyl ester
  • butanoic acid, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
  • butyric acid p-menth-1-en-8-yl ester
  • butyric acid para-menth-1-en-8-yl ester
  • p- menth-1-en-8-ol butyrate
  • para- menth-1-en-8-ol butyrate
  • p- menth-1-en-8-yl butyrate
  • para- menth-1-en-8-yl butyrate
  • methyl methyl cyclohexenyl ethyl butyrate
  • 1-methyl-1-(4-methyl-3-cyclohexen-1-yl) ethyl butyrate
  • 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl butyrate
  • 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl butanoate
  • 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl butyrate
  • alpha terpinyl butyrate
  • terpinyl butyrate natural
  • 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl butanoate
  • Butyric acid, p-menth-1-en-8-yl ester
  • α-Terpinyl butyrate
  • α-Terpineol butyrate
  • 2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl butanoate

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):HMDB32053
FooDB:FDB008758
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 224.34367370605
Specific gravity @ 15.5 °C
Pounds per Gallon 8.005 to 8.055
Boiling Point 244 to 246°C @ 760 mm Hg
Vapor Pressure 0.005 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 4.754 est
Solubility
alcohol Yes
water, 0.9352 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Balsamic
sour, rosemary, fruity, balsamic, floral
General comment At 100.00 %. sour rosemary fruity balsamic floral
Flavor Type: Floral
floral, plum, peach, orchid
General comment Bittersweet plum

Occurrences

Safety Information

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 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 butyrate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 5.10 (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: -9.50000
beverages(nonalcoholic): -6.40000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -210.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -9.20000
fruit ices: -9.20000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -11.00000
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):2153-28-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :578423
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl butanoate
Chemidplus:0002153288