EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

3-methyl pentyl angelate
2-butenoic acid, 2-methyl-, 3-methylpentyl ester, (2Z)-

Sponsors

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:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: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: 228.00 to 230.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.069000 mm/Hg @ 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
 
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).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Soda Aromatic
3-3-Methylpentyl 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: fragrance agents
 
Recommendation for 3-methyl pentyl angelate flavor usage levels up to:
 not for flavor use.
 
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
 
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
 
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:FDB004818
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
anisic
3-
pentyl bicyclo[3.2.1]octan-2-one
FR
balsamic
guaiacyl phenyl acetate
FL/FR
berry
sec-
butyl ethyl ether
FL/FR
citrus
citrus woody floral fragrance
FR
myrcenyl acetate
FL/FR
earthy
(Z)-
linalool oxide (furanoid)
FL/FR
floral
cassie absolute
FL/FR
delta-
damascone
FL/FR
dihydro-alpha-ionone
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
4-
dimethyl ionone
FR
elder flower wood specialty
FR
(E)-beta-
ionone
FL/FR
alpha-
ionone
FL/FR
alpha-
ionyl acetate
FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
melaleuca ericifolia leaf oil
FR
alpha-iso
methyl ionone (60% min.)
FL/FR
alpha-iso
methyl ionone (70% min.)
FL/FR
alpha-iso
methyl ionone (80% min.)
FL/FR
2-
methyl naphthalene
FL/FR
mimosa concrete france
FL/FR
mimosa tenuiflora leaf extract
FL/FR
bitter
orangeflower concrete
FR
orris rhizome absolute replacer
FR
petitgrain cedrat oil
FL/FR
petitgrain oil terpenes
FR
phenethyl hexanoate
FL/FR
rose concrete (rosa centifolia)
FR
styralyl formate
FL/FR
vetiver pentanone
FR
fruity
1,4-
diisopropyl-6,8-dioxabicyclo(3.2.1)octane
FR
linalool oxide acetates
FL/FR
octyl propionate
FL/FR
tropical ionone
FL/FR
green
iso
green methanoindene
FR
(E)-2-
hexen-1-yl salicylate
FR
para-
methyl hydratropaldehyde
FL/FR
herbal
calendula officinalis flower oil CO2 extract
FR
freesia heptanol
FL/FR
immortelle flower oil
FL/FR
marigold pot flower oil
FL/FR
mossy
moss specialty
FR
musk
amyris specialty
FR
ethylene brassylate
FL/FR
powdery
(E)-alpha-
methyl ionone (44-50%)
FL/FR
rummy
rum extract
FL/FR
spicy
iso
eugenol
FL/FR
white
sassafras oil
FL/FR
spicy carbonate
FR
terpenic
alpha-
terpineol
FL/FR
woody
anthocephalus cadamba oil
FR
bois de rose leaf oil brazil
FL/FR
cabreuva wood oil
FR
chloranthus spicatus absolute
FR
2-
decalinyl acetate
FR
dihydro-beta-ionol
FL/FR
homalomena rubescens root oil
FR
sandal octanol
FR
santalyl acetate
FL/FR
zdravetz absolute
FR
zdravetz oil
FL/FR
For Flavor
No flavor group found for these
sec-
butyl ethyl ether
FL/FR
dihydro-beta-ionol
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
linalool oxide acetates
FL/FR
marigold pot flower oil
FL/FR
(E)-alpha-
methyl ionone (44-50%)
FL/FR
alpha-iso
methyl ionone (60% min.)
FL/FR
white
sassafras oil
FL/FR
styralyl formate
FL/FR
zdravetz oil
FL/FR
berry
berry
dihydro-alpha-ionone
FL/FR
citrus
freesia heptanol
FL/FR
laevo-
linalool
FL/FR
myrcenyl acetate
FL/FR
petitgrain cedrat oil
FL/FR
alpha-
terpineol
FL/FR
estery
octyl propionate
FL/FR
floral
bois de rose leaf oil brazil
FL/FR
alpha-
ionone
FL/FR
alpha-iso
methyl ionone (70% min.)
FL/FR
alpha-iso
methyl ionone (80% min.)
FL/FR
mimosa concrete france
FL/FR
mimosa tenuiflora leaf extract
FL/FR
tropical ionone
FL/FR
green
linalool oxide
FL/FR
para-
methyl hydratropaldehyde
FL/FR
herbal
immortelle flower oil
FL/FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
musk
ethylene brassylate
FL/FR
oily
2-
methyl naphthalene
FL/FR
phenolic
guaiacyl phenyl acetate
FL/FR
rummy
rum extract
FL/FR
spicy
cassie absolute
FL/FR
iso
eugenol
FL/FR
waxy
phenethyl hexanoate
FL/FR
woody
delta-
damascone
FL/FR
(E)-beta-
ionone
FL/FR
santalyl acetate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 chamomile flower oil roman @ 22.69%
Data GC Search Trop Picture
 chamomile garden chamomile plant
Search Trop Picture
 
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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Notes:
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