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chamomile isobutyrate

Chemical Structure

General Material Information

Preferred name chamomile isobutyrate
Trivial Name 1,3-Dimethyl-3-butenyl 2-methylpropionate
Short Description isopentyrate (Firmenich)
Formula C10 H18 O2
CAS Number 80118-06-5
ECHA Number 279-399-0
FDA UNII W64T225HF4
Nikkaji Number J320.233J
xLogP3-AA 3.30 (est)
NMR Predictor External link
Synonyms
  • iso camorate (Tadimety)
  • 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
  • pentenyl isobutyrate
  • iso pentyrate (Firmenich)
  • homo prenyl isobutyrate
  • propanoic acid, 2-methyl-, 1,3-dimethyl-3-butenyl ester
  • 4-methylpent-4-en-2-yl 2-methylpropanoate
  • Propanoic acid, 2-methyl-, 1,3-dimethyl-3-buten-1-yl ester
  • 1,3-Dimethyl-3-butenyl 2-methylpropionate

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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.60.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 170.25186157227
Specific gravity @ 20 °C
Pounds per Gallon 7.223 to 7.281
Refractive Index 1.419 to 1.423 @ 20 °C
Acid Value 1 max KOH/g
Vapor Pressure 1 mmHg @ 20 °C
Flash Point TCC Value 53.33 °C TCC
logP (o/w) 3.139 est
Solubility
alcohol Yes
water, 53.36 mg/L @ 25 °C (est) Yes
Stability
APC: 0.5 - 2% Unspecified
candle: 0.5 - 2% Unspecified
detergent: 0.5 - 2% Unspecified
fine fragrances: 0.5 - 2% Unspecified
shampoo: 0.5 - 2% Unspecified
shower gel: 0.5 - 2% Unspecified
soap: 0.5 - 2% Unspecified
softener: 0.5 - 2% Unspecified

Organoleptic Properties

Odor Type: Herbal
natural, fruity, floral, herbal, chamomile
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 12 hour(s) at 100.00 %
Luebke, William tgsc, (1987) At 10.00 % in dipropylene glycol. natural fruity floral herbal chamomile
It brings a lovely natural fresh quality to almost all areas of perfumery. At low levels it enhances a fragrance’s performance. A unique fruity aromatic ester note that is reminiscent of the character of chamomile
General comment A typical fruity ester note and a very natural fruity floral and herbal note; it recalls part of the character of camomile

Potential Uses

Applications
Odor purposes Chamomile , Fern , Fig , Floral , Fruit , Lavender , Rose
Other purposes Natural , Topnotes
Cosmetic purposes Perfuming agents

Safety Information

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