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

butyl angelate
butyl (Z)-2-methyl isocrotonate

Supplier Sponsors

CAS Number: 7785-64-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:232-084-1
Nikkaji Web:J213.481K
XlogP3:3.10 (est)
Molecular Weight:156.22492000
Formula:C9 H16 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and 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
FLAVIS Number:09.321 (Old)
DG SANTE Food Flavourings:09.321 butyl 2-methylbut-2(cis)-enoate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.90600 to 0.91200 @ 25.00 °C.
Pounds per Gallon - (est).: 7.539 to 7.589
Refractive Index:1.43200 to 1.43800 @ 20.00 °C.
Boiling Point: 193.00 to 194.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.459000 mm/Hg @ 25.00 °C. (est)
Flash Point: 162.00 °F. TCC ( 72.22 °C. )
logP (o/w): 3.244 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 142.2 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: winey
Odor Strength:medium
winey fruity rose spicy
Odor Description:at 100.00 %. wine fruity rose spicy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Nagar Haveli Perfumes & Aromatics
Butyl Angelate
Odor: wine fruity rose spicy
Soda Aromatic
Butyl Angelate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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: flavor and fragrance agents
Recommendation for butyl angelate usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5
View page or View pdf

Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters
View page or View pdf

Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010)
View page or View pdf

Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05Rev1 (2008)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):7785-64-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5364789
National Institute of Allergy and Infectious Diseases:Data
butyl (Z)-2-methylbut-2-enoate
Chemidplus:0007785640
 
References:
 butyl (Z)-2-methylbut-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7785-64-0
Pubchem (cid):5364789
Pubchem (sid):135038785
Pherobase:View
 
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:FDB004833
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aromatic
damascone carboxylate
FR
balsamic
cinnamyl butyrate
FL/FR
cinnamyl cinnamate
FL/FR
ethyl cinnamate
FL/FR
terpinyl cinnamate
FL/FR
tolu balsam oil
FL/FR
caramellic
diethyl malate
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
cheesy
2-
heptanone
FL/FR
earthy
amyl octanoate
FL/FR
ethereal
iso
amyl acetoacetate
FL/FR
iso
butyl alcohol
FL/FR
methyl acetate
FL/FR
fatty
butyl undecylenate
FL/FR
fermented
methyl decanoate
FL/FR
3-
methyl-1-pentanol
FL/FR
floral
benzyl formate
FL/FR
benzyl isobutyrate
FL/FR
cassis buteneone
FR
citronellal diisotridecyl acetal
FR
citronellyl acetate
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl anthranilate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
3-
cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
FR
beta-
damascenone
FL/FR
delta-
damascone
FL/FR
(Z)-4-
decen-1-yl acetate
FL/FR
dimethyl anthranilate
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
ethyl linalyl acetate
FR
ethyl ortho-anisate
FL/FR
eucalyptus macarthurii oil
FR
geraniol
FL/FR
geranium oil bourbon
FL/FR
geranium oil egypt fractions
FR
geranium rose-scented oil cuba
FR
geranyl formate
FL/FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
geranyl propionate
FL/FR
geranyl valerate
FL/FR
2-
hexylidene cyclopentanone
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
phenethyl pivalate
FL/FR
phenethyl propionate
FL/FR
2-
phenethyl valerate
FL/FR
rhodinyl acetate
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
rose butanoate
FL/FR
rose carboxylate
FR
rose concrete (rosa damascena)
FR
rose oil (rosa damascena) russia
FL/FR
(Z)-
rose oxide
FL/FR
styralyl propionate
FL/FR
fresh
10-
undecen-1-yl acetate
FL/FR
fruity
allyl isononylate
FR
para-
anisyl methyl ketone
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl sebacate
FL/FR
dodecyl propionate
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl heptanoate
FL/FR
(E)-
ethyl tiglate
FL/FR
(E,Z)-6-
ethyl-5,7-dimethyl-2,5-octadien-4-one
FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
geranyl butyrate
FL/FR
methyl nonanoate
FL/FR
octyl formate
FL/FR
2-
pentanone
FL/FR
(E,E)-
pomarose
FR
propyl 2-methyl butyrate
FL/FR
propyl heptanoate
FL/FR
sorbyl butyrate
FL/FR
thesaron (Takasago)
FR
green
benzaldehyde dimethyl acetal
FL/FR
green
cognac oil
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl phenyl acetate
FL/FR
octanal diethyl acetal
FL/FR
rosa odorata flower oil
FR
herbal
iso
amyl tiglate
FL/FR
white
cognac oil
FL/FR
ethyl chrysanthemate
FR
geranium cyclohexane
FR
geranyl octanoate
FL/FR
lavender absolute bulgaria
FL/FR
linalyl formate
FL/FR
nonisyl acetate
FR
phenethyl senecioate
FL/FR
honey
methyl hydrocinnamate
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
spicy
alpha-
amyl cinnamyl alcohol
FL/FR
cinnamyl propionate
FL/FR
elemi oil fractions
FR
(E)-
propyl 2-furan acrylate
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl laurate
FL/FR
dihydrocitronellyl acetate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
winey
2-
hexanol
FL/FR
methyl 3-acetoxyoctanoate
FL/FR
woody
kaempferia galanga rhizome oil
FL/FR
santalyl butyrate
FL/FR
For Flavor
No flavor group found for these
amyl octanoate
FL/FR
iso
amyl tiglate
FL/FR
2-
amyl-5 or 6-keto-1,4-dioxane
FL
benzyl methyl tiglate
FL
2-
butyl furan
FL
iso
butyraldehyde propylene glycol acetal
FL
(Z)-4-
decen-1-yl acetate
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl malate
FL/FR
dihydrocitronellyl acetate
FL/FR
dodecyl propionate
FL/FR
ethyl 3-hydroxyoctanoate
FL
ethyl aconitate
FL
ethyl ortho-anisate
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
geranyl octanoate
FL/FR
geranyl valerate
FL/FR
2-
hexanol
FL/FR
2-
hexylidene cyclopentanone
FL/FR
linalyl formate
FL/FR
methyl 3-acetoxyoctanoate
FL/FR
methyl hydrocinnamate
FL/FR
2-
methyl-1-butanol
FL/FR
oenanthic ether
FL
phenethyl senecioate
FL/FR
2-
phenethyl valerate
FL/FR
propyl 2-methyl butyrate
FL/FR
santalyl butyrate
FL/FR
sorbyl propionate
FL
hexyl 3-mercaptobutanoate
FL
balsamic
balsamic
ethyl cinnamate
FL/FR
phenethyl pivalate
FL/FR
tolu balsam oil
FL/FR
camphoreous
kaempferia galanga rhizome oil
FL/FR
caramellic
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
cheesy
2-
heptanone
FL/FR
citrus
styralyl propionate
FL/FR
ethereal
iso
butyl alcohol
FL/FR
methyl acetate
FL/FR
fatty
iso
amyl laurate
FL/FR
methyl decanoate
FL/FR
floral
cinnamyl propionate
FL/FR
citronellyl acetate
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
geranium oil bourbon
FL/FR
geranyl isobutyrate
FL/FR
geranyl phenyl acetate
FL/FR
phenethyl propionate
FL/FR
rhodinyl acetate
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
rose oil (rosa damascena) russia
FL/FR
fruity
iso
amyl acetoacetate
FL/FR
benzyl formate
FL/FR
benzyl isobutyrate
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
citronellyl anthranilate
FL/FR
diethyl sebacate
FL/FR
dimethyl anthranilate
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
ethyl heptanoate
FL/FR
(E)-
ethyl tiglate
FL/FR
geranyl butyrate
FL/FR
hexyl phenyl acetate
FL/FR
2-
pentanone
FL/FR
phenethyl isovalerate
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
rose butanoate
FL/FR
sorbyl butyrate
FL/FR
terpinyl cinnamate
FL/FR
fusel
green
cognac oil
FL/FR
white
cognac oil
FL/FR
greasy
10-
undecen-1-yl acetate
FL/FR
green
benzaldehyde dimethyl acetal
FL/FR
(E)-
citronellyl tiglate
FL/FR
geranyl formate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
hexyl isobutyrate
FL/FR
octanal diethyl acetal
FL/FR
octyl formate
FL/FR
(Z)-
rose oxide
FL/FR
herbal
lavender absolute bulgaria
FL/FR
honey
phenethyl isobutyrate
FL/FR
musty
propionaldehyde
FL
spicy
alpha-
amyl cinnamyl alcohol
FL/FR
para-
anisyl methyl ketone
FL/FR
cinnamyl cinnamate
FL/FR
waxy
allyl nonanoate
FL/FR
butyl undecylenate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
geranyl propionate
FL/FR
propyl heptanoate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
cinnamyl butyrate
FL/FR
methyl nonanoate
FL/FR
woody
beta-
damascenone
FL/FR
delta-
damascone
FL/FR
 
Potential Uses:
FRfloral
FRfruit
FRspice
FRwine
 
Occurrence (nature, food, other):note
 chamomile garden chamomile plant
Search Trop Picture
 chamomile oil @ 0.37%
Data GC Search Trop Picture
 eriocephalus punctulatus
Search Trop Picture
 
Synonyms:
2-butenoic acid, 2-methyl-, butyl ester, (2Z)-
2-butenoic acid, 2-methyl-, butyl ester, (Z)-
 butyl (2Z)-2-methyl-2-butenoate
 butyl (Z)-2-methyl crotonate
 butyl (Z)-2-methyl isocrotonate
 butyl (Z)-2-methyl-2-butenoate
 butyl (Z)-2-methylbut-2-enoate
 butyl (Z)-2-methylcrotonate
 butyl (Z)-2-methylisocrotonate
 butyl 2-methylbut-2(cis)-enoate
N-butyl angelate
 butyl cis-2-methyl isocrotonate
(2Z)-2-methyl-2-butenoic acid butyl ester
 

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