isobutyl (E)-2-butenoate
isobutyl trans-2-butenoate
 
Notes:
None found
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      Product(s):
      73545-15-0 isoButyl trans-2-butenoate
       
  • Sigma-Aldrich
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CAS Number: 73545-15-0Picture of molecule3D/inchi
FDA UNII: 6H6IW50K3Z
Nikkaji Web: J94.999J
MDL: MFCD00036651
XlogP3-AA: 2.30 (est)
Molecular Weight: 142.19798000
Formula: C8 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 166.40 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 1.788000 mmHg @ 25.00 °C. (est)
Flash Point: 131.00 °F. TCC ( 55.00 °C. ) (est)
logP (o/w): 2.727 (est)
Soluble in:
 alcohol
 water, 555.2 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium
 
 sweet  fruity  pineapple  apple  banana  
Odor Description:
at 100.00 %. 
sweet fruity pineapple apple banana
 
 
Flavor Type: waxy
 
 waxy  fruity  sweet  apple  pineapple  
Taste Description:
waxy fruity sweet apple pineapple
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
isoButyl trans-2-butenoate
Sigma-Aldrich
Isobutyl trans-2-butenoate, ≥98%, FCC, FG
Certified Food Grade Products
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Safety Information:
Preferred SDS: View
 
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
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Safety in Use Information:
Category: information only not used for fragrances or flavors
Recommendation for isobutyl (E)-2-butenoate usage levels up to:
 not for fragrance use.
 
Recommendation for isobutyl (E)-2-butenoate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 73545-15-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5365793
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 2-methylpropyl (E)-but-2-enoate
Chemidplus: 0073545150
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References:
 2-methylpropyl (E)-but-2-enoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 73545-15-0
Pubchem (cid): 5365793
Pubchem (sid): 135153572
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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
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
(E)-2-butenoic acid 2-methyl propyl ester
trans-2-butenoic acid 2-methyl propyl ester
2-butenoic acid, 2-methylpropyl ester, (2E)-
2-butenoic acid, 2-methylpropyl ester, (E)-
isobutyl (2E)-2-butenoate
isobutyl (2E)-but-2-enoate
isobutyl (E)-2-crotonate
isobutyl (E)-crotonate
isobutyl trans-2-butenoate
isobutyl trans-2-crotonate
isobutyl trans-crotonate
(E)-crotonic acid isobutyl ester
trans-crotonic acid isobutyl ester
 crotonic acid, isobutyl ester, (trans)-
2-methyl propyl (E)-2-butenoate
2-methyl propyl (E)-crotonate
2-methyl propyl trans-2-butenoate
2-methyl propyl trans-crotonate
2-methylpropyl (E)-but-2-enoate
2-methylpropyl trans-but-2-enoate
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