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propyl angelate
2-butenoic acid, 2-methyl-, propyl ester, (2Z)-

Sponsors

Name:propyl (Z)-2-methylbut-2-enoate
CAS Number: 53082-57-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:258-349-1
Nikkaji Web:J213.480B
XlogP3-AA:2.20 (est)
Molecular Weight:142.19798000
Formula:C8 H14 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:natural substances and extractives
 
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
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 171.00 to 172.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:1.390000 mm/Hg @ 25.00 °C. (est)
Flash Point: 137.00 °F. TCC ( 58.30 °C. ) (est)
logP (o/w): 2.931 (est)
Soluble in:
 alcohol
 water, 430.2 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
winey fruity rose
Odor Description:at 100.00 %. wine fruity rose
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Propyl 2-methylisocrotonate
Soda Aromatic
Propyl Angelate
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: natural substances and extractives
Recommendation for propyl angelate usage levels up to:
 not for fragrance use.
 
Recommendation for propyl angelate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6437044
National Institute of Allergy and Infectious Diseases:Data
propyl (Z)-2-methylbut-2-enoate
Chemidplus:0053082578
 
References:
 propyl (Z)-2-methylbut-2-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6437044
Pubchem (sid):135060289
 
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
FooDB:FDB004846
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 chamomile flower oil roman @ 1.04%
Data GC Search Trop Picture
 chamomile garden chamomile plant
Search Trop Picture
 
Synonyms:
2-butenoic acid, 2-methyl-, propyl ester, (2Z)-
2-butenoic acid, 2-methyl-, propyl ester, (Z)-
(Z)-2-methyl-2-butenoic acid propyl ester
 propyl (2Z)-2-methylbut-2-enoate
 propyl (Z)-2-methylbut-2-enoate
 propyl 2-methyl isocrotonate
N-propyl angelate
 

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Notes:
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