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rhodinyl isobutyrate

Chemical Structure

General Material Information

Preferred name rhodinyl isobutyrate
Trivial Name 3,7-Dimethyl-7-octen-1-yl 2-methylpropanoate
Short Description 3,7-dimethyl-7-octen-1-yl isobutyrate
Formula C14 H26 O2
CAS Number 138-23-8
Deleted CAS Number 1138-23-8
FEMA Number 2983
Flavis Number 9.94
ECHA Number 205-318-5
FDA UNII MPU705W90M
Nikkaji Number J184.410E
COE Number 297
xLogP3-AA 5.10 (est)
NMR Predictor External link
JECFA Food Flavoring 74 rhodinyl isobutyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 138-23-8 ; RHODINYL ISOBUTYRATE
Synonyms
  • iso butyric acid 3,7-dimethyl-7-octenyl ester
  • iso butyric acid, 3,7-dimethyl-7-octenyl ester
  • 3,7-dimethyl oct-7-enyl 2-methyl propanoate
  • 3,7-dimethyl-6 or 7-octen-1-yl 2-methyl propanoate
  • 3,7-dimethyl-6 or 7-octen-1-yl isobutyrate
  • 3,7-dimethyl-7-octen-1-yl 2-methyl propionate
  • 3,7-dimethyl-7-octen-1-yl 2-methylpropionate
  • 3,7-dimethyl-7-octen-1-yl isobutyrate
  • 3,7-dimethyl-7-octenyl 2-methyl propanoate
  • 3,7-dimethyl-7-octenyl 2-methylpropanoate
  • 3,7-dimethyloct-7-en-1-yl 2-methylpropanoate
  • 3,7-dimethyloct-7-enyl 2-methylpropanoate
  • 3,7-dimethyloct-7-enyl isobutyrate
  • 2-methyl propanoic acid 3,7-dimethyl-7-octenyl ester
  • propanoic acid, 2-methyl-, 3,7-dimethyl-7-octen-1-yl ester
  • propanoic acid, 2-methyl-, 3,7-dimethyl-7-octenyl ester
  • rhodinol isobutyrate
  • rhodinyl 2-methyl propanoate
  • rhodinyl 2-methylpropanoate
  • 3,7-dimethyloct-7-enyl 2-methylpropanoate
  • Isobutyric acid, 3,7-dimethyl-7-octenyl ester
  • 3,7-Dimethyl-7-octen-1-yl 2-methylpropanoate
  • 2,6-Dimethyl-1-octen-8-yl isobutyrate

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):HMDB37189
FooDB:FDB016191
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 226.35961914062
Specific gravity @ 25 °C
Pounds per Gallon 7.322 to 7.406
Specific gravity @ 20 °C
Pounds per Gallon 7.339 to 7.423
Refractive Index 1.448 to 1.453 @ 20 °C
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 5.069 est
Solubility
alcohol Yes
water, 0.582 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
sweet, natural, rose red rose, spicy, fruity, tropical, geranium
Odor strength medium
Substantivity 348 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 100.00 %. sweet natural red rose spicy fruity tropical geranium
Flavor Type: Floral
floral, rose, tropical, fruity, spicy, powdery, soapy, geranium
Luebke, William tgsc, (1987) Sweet floral rose tropical fruity spicy powdery soapy geranium

Potential Uses

Applications
Odor purposes Apricot, Carnation, Jasmin, Peach, Pineapple, Plum, Plum mirabelle plum, Rose, Rose red rose, Spice
Flavoring purposes Plum greengage plum
Other purposes Fixer
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
(Moreno, 1975f)

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 rhodinyl isobutyrate usage levels up to:
4.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (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: -4.50000
beverages(nonalcoholic): -1.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.80000
fruit ices: -1.80000
gelatins / puddings: -0.01000
granulated sugar: --
gravies: --
hard candy: -3.30000
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 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):138-23-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61085
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3,7-dimethyloct-7-enyl 2-methylpropanoate
Chemidplus:0000138238