3-methyl pentyl angelate
2-butenoic acid, 2-methyl-, 3-methylpentyl ester, (2Z)-
 
Notes:
None found
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      Product(s):
      110224013 3-3-Methylpentyl Angelate
       
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CAS Number: 53082-58-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 258-350-7
Nikkaji Web: J68.567D
XlogP3-AA: 3.50 (est)
Molecular Weight: 184.27880000
Formula: C11 H20 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 228.00 to  230.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.069000 mmHg @ 25.00 °C. (est)
Flash Point: 184.00 °F. TCC ( 84.60 °C. ) (est)
logP (o/w): 4.341 (est)
Soluble in:
 alcohol
 water, 17.56 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: woody
 
Odor Strength: medium
 
 woody  floral  celery  seedy  chamomile  
Odor Description:
at 100.00 %. 
woody floral celery seed chamomile
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Soda Aromatic
3-3-Methylpentyl Angelate
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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
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Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for 3-methyl pentyl angelate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 53082-58-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6437020
National Institute of Allergy and Infectious Diseases: Data
 3-methylpentyl (Z)-2-methylbut-2-enoate
Chemidplus: 0053082589
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References:
 3-methylpentyl (Z)-2-methylbut-2-enoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 53082-58-9
Pubchem (cid): 6437020
Pubchem (sid): 135062000
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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
FooDB: FDB004818
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
anisic
3-pentyl bicyclo[3.2.1]octan-2-oneFR
balsamic
 callitropsis araucarioides wood oilFR
 guaiacyl phenyl acetateFL/FR
 incense fragranceFR
berry
sec-butyl ethyl etherFL/FR
citrus
 citrus woody floral fragranceFR
 myrcenyl acetateFL/FR
earthy
(Z)-linalool oxide (furanoid)FL/FR
floral
 cassie absoluteFL/FR
delta-damasconeFL/FR
 dihydro-alpha-iononeFL/FR
2',4'-dimethyl acetophenoneFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
4-dimethyl iononeFR
 elder flower wood specialtyFR
alpha-iononeFL/FR
(E)-beta-iononeFL/FR
alpha-ionyl acetateFR
 lavandula angustifolia flower oilFL/FR
 lavender oil CO2 extractFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 melaleuca ericifolia leaf oilFR
alpha-isomethyl ionone (60% min.)FL/FR
alpha-isomethyl ionone (70% min.)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
2-methyl naphthaleneFL/FR
 mimosa concrete franceFL/FR
 mimosa tenuiflora leaf extractFL/FR
bitter orangeflower concreteFR
 orris rhizome absolute replacerFR
 petitgrain cedrat oilFL/FR
 petitgrain oil terpenesFR
 phenethyl hexanoateFL/FR
 rose concrete (rosa centifolia)FR
 styralyl formateFL/FR
 vetiver pentanoneFR
fruity
1,4-diisopropyl-6,8-dioxabicyclo(3.2.1)octaneFR
 linalool oxide acetatesFL/FR
 octyl propionateFL/FR
 tropical iononeFL/FR
green
isogreen methanoindeneFR
(E)-2-hexen-1-yl salicylateFR
para-methyl hydratropaldehydeFL/FR
herbal
beta-bourboneneFL/FR
 calendula officinalis flower oil CO2 extractFR
 freesia heptanolFL/FR
 immortelle flower oilFL/FR
 marigold pot flower oilFL/FR
mossy
 moss fragranceFR
 moss specialtyFR
musk
 amyris specialtyFR
 ethylene brassylateFL/FR
powdery
(E)-alpha-methyl ionone (44-50%)FL/FR
rummy
 rum extractFL/FR
spicy
 clove bud absoluteFL/FR
isoeugenolFL/FR
white sassafras oilFL/FR
 spicy carbonateFR
terpenic
alpha-terpineolFL/FR
woody
 anthocephalus cadamba oilFR
 bois de rose leaf oil brazilFL/FR
 cabreuva wood oilFR
 callitris intratropica wood oil australiaFR
 chloranthus spicatus absoluteFR
 convolvulus scoparius wood oilFR
 daniellia oliveri bark oil CO2 extractFR
2-decalinyl acetateFR
 dihydro-beta-ionolFL/FR
 homalomena rubescens root oilFR
 incense specialtyFR
 sandal octanolFR
 santalyl acetateFL/FR
 zdravetz absoluteFR
 zdravetz oilFL/FR
 
For Flavor
 
No flavor group found for these
beta-bourboneneFL/FR
sec-butyl ethyl etherFL/FR
 dihydro-beta-ionolFL/FR
2',4'-dimethyl acetophenoneFL/FR
(Z)-linalool oxide (furanoid)FL/FR
 linalool oxide acetatesFL/FR
 marigold pot flower oilFL/FR
(E)-alpha-methyl ionone (44-50%)FL/FR
alpha-isomethyl ionone (60% min.)FL/FR
white sassafras oilFL/FR
 styralyl formateFL/FR
 zdravetz oilFL/FR
berry
 dihydro-alpha-iononeFL/FR
citrus
 freesia heptanolFL/FR
laevo-linaloolFL/FR
 myrcenyl acetateFL/FR
 petitgrain cedrat oilFL/FR
alpha-terpineolFL/FR
estery
 octyl propionateFL/FR
floral
 bois de rose leaf oil brazilFL/FR
alpha-iononeFL/FR
alpha-isomethyl ionone (70% min.)FL/FR
alpha-isomethyl ionone (80% min.)FL/FR
 mimosa concrete franceFL/FR
 mimosa tenuiflora leaf extractFL/FR
 tropical iononeFL/FR
green
 linalool oxideFL/FR
para-methyl hydratropaldehydeFL/FR
herbal
 immortelle flower oilFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender oil CO2 extractFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
musk
 ethylene brassylateFL/FR
oily
2-methyl naphthaleneFL/FR
phenolic
 guaiacyl phenyl acetateFL/FR
rummy
 rum extractFL/FR
spicy
 cassie absoluteFL/FR
 clove bud absoluteFL/FR
isoeugenolFL/FR
waxy
 phenethyl hexanoateFL/FR
woody
delta-damasconeFL/FR
(E)-beta-iononeFL/FR
 santalyl acetateFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 chamomile flower oil roman @ 22.69%
Data  GC  Search Trop  Picture
 chamomile garden chamomile plant
Search Trop  Picture
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Synonyms:
 angelate-630
2-butenoic acid, 2-methyl-, 3-methylpentyl ester, (2Z)-
2-butenoic acid, 2-methyl-, 3-methylpentyl ester, (Z)-
3-methyl pentyl (Z)-2-methyl-2-butenoate
3-methyl pentyl 2-methyl isocrotonate
3-methylpentyl (2Z)-2-methylbut-2-enoate
3-methylpentyl (Z)-2-methylbut-2-enoate
3-methylpentyl angelate
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Articles:
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