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

isoamyl geranate
3-methylbutyl (E)-3,7-dimethyl-2,6-octadienoate

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Name:3-methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate
CAS Number: 68133-73-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:268-700-0
Nikkaji Web:J65.640B
XlogP3-AA:5.10 (est)
Molecular Weight:238.37062000
Formula:C15 H26 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:cosmetic and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear oily liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 110.00 °C. @ 1.00 mm Hg
Vapor Pressure:0.000500 mm/Hg @ 25.00 °C. (est)
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 5.508 (est)
Soluble in:
 alcohol
 water, 0.2633 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
ethyl geranate
methyl cyclogeranate
(E)-methyl geranate
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
rose lemon honey hay
Odor Description:at 100.00 %. rose lemon honey hay
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
ISOAMYL GERANATE ≥95.0%, Kosher
Odor Description:A rose. Lemon. honey character
A long lasting interesting addition to rose, honey, herbal or lemon fragrances.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Bedoukian Research
ISOAMYL GERANATE
≥95.0%, Kosher
Odor: A rose. Lemon. honey character
Use: A long lasting interesting addition to rose, honey, herbal or lemon fragrances.
Penta International
ISOAMYL GERANATE, Kosher
 
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:
oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 831, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 831, 1979.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: cosmetic and fragrance agents
Recommendation for isoamyl geranate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Recommendation for isoamyl geranate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):68133-73-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6435040
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate
Chemidplus:0068133733
 
References:
 3-methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:68133-73-3
Pubchem (cid):6435040
Pubchem (sid):135010579
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2916.19.6000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
1,2,3,4-
tetrahydroquinoline
FR
bready
bran resinoid
FR
cereal
bran absolute
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citrus
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tea tree oil
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floral
aeolanthus graveolens oil
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gamma-
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decyl formate
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floral pyran
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geranium rose-scented oil cuba
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geranyl anthranilate
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hawthorn ethanol
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honeysuckle absolute
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kewda oil
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musk acetate
FR
phenyl acetaldehyde digeranyl acetal
FR
phenyl glycol diacetate
FR
(E)-2-
phenyl-1(2)-propene-1-yl acetate
FR
rose carboxylate
FR
green
4-
methyl-4-phenyl pentanone
FR
herbal
american
elder flower absolute
FR
spicy
carnation absolute
FR
waxy
waxy acetate
FR
waxy acetate
FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
fig leaf absolute
FL
green
green
(E)-3-
hexenoic acid
FL
sour
2,4-
dimethyl-2-pentenoic acid
FL
 
Potential Uses:
FRcitrus
FRherbal
FRhoney miel
FRlemon
FRrose
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
(E)-isoamyl geranate
(E)-3,7-dimethyl-2,6-octadienoic acid 3-methyl butyl ester
(E)-3,7-dimethyl-2,6-octadienoic acid isopentyl ester
3-methyl butyl (E)-3,7-dimethyl octa-2,6-dienoate
3-methyl butyl (E)-3,7-dimethyl-2,6-octadienoate
3-methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate
3-methylbutyl (E)-3,7-dimethyl-2,6-octadienoate
3-methylbutyl (E)-3,7-dimethylocta-2,6-dienoate
2,6-octadienoic acid 3,7-dimethyl-,3-methylbutyl ester,(2E)-
2,6-octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)-
2,6-octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (E)-
2,6-octadienoic acid, 3,7-dimethyl-, isopentyl ester, (E)-
isopentyl geranate
 
 
Notes:
None found
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