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BT
 

chamomile isobutyrate
isopentyrate (Firmenich)

Sponsors

Fragrance Demo Formulas
Name: 4-methylpent-4-en-2-yl 2-methylpropanoate
CAS Number: 80118-06-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 279-399-0
Nikkaji Web: J320.233J
XlogP3-AA: 3.30 (est)
Molecular Weight: 170.25186000
Formula: C10 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
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Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
 
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.86000 25.00 °C.
Boiling Point: 185.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 1.000000 mm/Hg @ 20.00 °C.
Flash Point: 128.00 °F. TCC ( 53.33 °C. )
logP (o/w): 3.139 (est)
Soluble in:
 alcohol
 water, 53.36 mg/L @ 25 °C (est)
Stability:
 APC: 0.5 - 2%
 candle: 0.5 - 2%
 detergent: 0.5 - 2%
 fine fragrances: 0.5 - 2%
 shampoo: 0.5 - 2%
 shower gel: 0.5 - 2%
 soap: 0.5 - 2%
 softener: 0.5 - 2%
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
Substantivity: 12 hour(s) at 100.00 %
 natural fruity floral herbal chamomile
Odor Description:
at 10.00 % in dipropylene glycol.
natural fruity floral herbal chamomile
Luebke, William tgsc, (1987)
Odor and/or flavor descriptions from others (if found).
Firmenich
ISOPENTYRATE
Odor Description: A unique fruity aromatic ester note that is reminiscent of the character of chamomile
It brings a lovely natural fresh quality to almost all areas of perfumery. At low levels it enhances a fragrance’s performance.
Moellhausen
ISOPENTYRATE
Odor Description: a typical fruity ester note and a very natural fruity floral and herbal note; it recalls part of the character of camomile
 
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
A.C.S. International
Pentenyl Isobutyrate
Operational Capabilities
Azelis UK
ISOPENTYRATE
Services
Ernesto Ventós
IsoPENTYRATE FIRMENICH 951517
Odor: FRUIT,PEAR,FLORAL,HERBAL,CHAMOMILLE
Firmenich
ISOPENTYRATE
Odor: A unique fruity aromatic ester note that is reminiscent of the character of chamomile
Use: It brings a lovely natural fresh quality to almost all areas of perfumery. At low levels it enhances a fragrance’s performance.
Indukern F&F
HOMOPRENYL ISOBUTYRATE
Odor: FRUITY, HERBAL, PEAR, CAMOMILE
Liaison Carbone
Isopentyrate
Lluch Essence
homoPRENYL ISOBUTYRATE
Odor: FRUITY, HERBACEOUS
M&U International
ISOPENTYRATE
Moellhausen
ISOPENTYRATE
Odor: a typical fruity ester note and a very natural fruity floral and herbal note; it recalls part of the character of camomile
Penta International
ISOPENTYRATE
Perfumery Laboratory
ISOPENTRATE FIRMENICH (ISOPENTYRATE FIRMENICH)
Odor: Natural, herbal, fruity with a bright pronounced notes of chamomile flowers and a pear shade
Tadimety Aromatics
Iso Camorate
Odor: Herbal, Fruity Floral Chamomile
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
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: fragrance agents
Recommendation for chamomile isobutyrate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Recommendation for chamomile isobutyrate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 80118-06-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 3018907
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 4-methylpent-4-en-2-yl 2-methylpropanoate
Chemidplus: 0080118065
 
References:
 4-methylpent-4-en-2-yl 2-methylpropanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 80118-06-5
Pubchem (cid): 3018907
Pubchem (sid): 135248129
 
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: 2915.60.0000
ChemSpider: View
 
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3,6-
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heliotrope absolute
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jasmin cyclopentanone
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lavender oil replacer
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menthadienyl formate
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ortho-
methoxybenzyl ethyl ether
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white
nelumbo nucifera flower absolute
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pink
nelumbo nucifera flower absolute
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white
nelumbo nucifera flower concrete
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nonisyl propionate
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osmanthus absolute replacer
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pelargonium graveolens flower water
FR
rose undecene
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souroubea specialty
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tetrahydroionyl acetate
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tetrahydrolinalyl acetate
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fruity
allyl benzoate
FR
benzaldehyde / methyl anthranilate schiff's base
FR
berry hexanoate
FR
eriocephalus punctulatus flower oil
FR
ginsene
FR
methyl bicycloheptenyl methyloxirane carboxylate
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myrascone
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plum damascone (high alpha)
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rhubarb pyran
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cis-
woody acetate
FR
green
(Z)-3-
hexen-1-yl angelate
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hexoxyacetaldehyde dimethyl acetal
FR
1-[(3aS,7aR)-3a,4,7,7a-
tetrahydro-1H-inden-6-yl]ethanone
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herbal
buchu oxime
FR
calendula officinalis flower oil CO2 extract
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cananga fruit oil
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carrot seed oil (daucus carota ssp. gummifer hook. fil.) spain
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chamomile octenone
FR
chamomile propionate
FR
chamomile valerate
FR
chrysanthemum ketone
FR
clary propyl acetate
FR
geranium cyclohexane
FR
herbal acetal
FR
inula root oil
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lavandin flower water
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lavender stem oil lithuania
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methyl cyclogeranate (Firmenich)
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nonisyl acetate
FR
tricyclodecenyl propionate
FR
spicy
carnation absolute
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tropical
triflaige A
FR
woody
2-
decalinyl acetate
FR
melozol acetate
FR
rhubarb oxirane
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zdravetz absolute
FR
For Flavor
 
Potential Uses:
 chamomileFR
 fern fougereFR
 figFR
 floralFR
 fruitFR
 lavenderFR
 natural 
 roseFR
 topnotes 
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
isocamorate
 chamomile isobutyrate
1,3-dimethyl but-3-enyl isobutyrate
1,3-dimethyl-3-buten-1-yl isobutyrate
1,3-dimethyl-3-butenyl isobutyrate
1,3-dimethylbut-3-enyl isobutyrate
2-methyl-propanoic acid, 1,3-dimethyl-3-butenyl ester
4-methylpent-4-en-2-yl 2-methylpropanoate
isopentyrate (Firmenich)
homoprenyl isobutyrate
 propanoic acid, 2-methyl-, 1,3-dimethyl-3-butenyl ester
 

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