butyl angelate
butyl (Z)-2-methyl isocrotonate
 
Notes:
None found
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  • Soda Aromatic
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      Product(s):
      103994 Butyl Angelate
       
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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:
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FLAVIS Number: 09.321 (Old)
DG SANTE Food Flavourings: 09.321  butyl 2-methylbut-2(cis)-enoate
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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 mmHg @ 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
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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).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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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 CSA
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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: 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
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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)
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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
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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
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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
FooDB: FDB004833
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aromatic
aromatic
 damascone carboxylateFR
balsamic
 cinnamyl butyrateFL/FR
 cinnamyl cinnamateFL/FR
 ethyl cinnamateFL/FR
 terpinyl cinnamateFL/FR
 tolu balsam oilFL/FR
berry
 methyl furoate 
caramellic
 diethyl malateFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
cheesy
2-heptanoneFL/FR
earthy
 amyl octanoateFL/FR
ethereal
isoamyl acetoacetateFL/FR
isobutyl alcoholFL/FR
 methyl acetateFL/FR
fatty
 butyl undecylenateFL/FR
fermented
 methyl decanoateFL/FR
3-methyl-1-pentanolFL/FR
floral
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
 cassis buteneoneFR
 citronellal diisotridecyl acetalFR
(S)-citronellyl acetateFL/FR
 citronellyl acetateFL/FR
 citronellyl anthranilateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl esterFR
beta-damascenoneFL/FR
delta-damasconeFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl linalyl acetateFR
 ethyl ortho-anisateFL/FR
 eucalyptus macarthurii oilFR
 geraniolFL/FR
 geranium oil bourbonFL/FR
 geranium oil egypt fractionsFR
 geranium rose-scented oil cubaFR
 geranyl formateFL/FR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
 geranyl propionateFL/FR
 geranyl valerateFL/FR
2-hexylidene cyclopentanoneFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl pivalateFL/FR
 phenethyl propionateFL/FR
2-phenethyl valerateFL/FR
 rhodinyl acetateFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
 rosa odorata flower oilFR
 rose butanoateFL/FR
 rose carboxylateFR
 rose concrete (rosa damascena)FR
 rose oil (rosa damascena) russiaFL/FR
(Z)-rose oxideFL/FR
 styralyl propionateFL/FR
fresh
10-undecen-1-yl acetateFL/FR
fruity
 allyl isononylateFR
para-anisyl methyl ketoneFL/FR
 benzyl ethyl malonate 
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
1-isobutyl-2-methyl butyl 2-butenoate 
 diethyl laevo-tartrateFL/FR
 diethyl sebacateFL/FR
1,2-dimethyl propyl 2-butenoate 
 dodecyl propionateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl heptanoateFL/FR
(E)-ethyl tiglateFL/FR
(E,Z)-6-ethyl-5,7-dimethyl-2,5-octadien-4-oneFR
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
 geranyl butyrateFL/FR
 methyl nonanoateFL/FR
 octyl formateFL/FR
2-pentanoneFL/FR
(E,E)-pomaroseFR
 propyl 2-methyl butyrateFL/FR
 propyl angelate 
 propyl heptanoateFL/FR
 sorbyl butyrateFL/FR
 thesaron (Takasago)FR
green
 benzaldehyde dimethyl acetalFL/FR
green cognac oilFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
 octanal diethyl acetalFL/FR
herbal
isoamyl tiglateFL/FR
white cognac oilFL/FR
 ethyl chrysanthemateFR
 geranium cyclohexaneFR
 geranyl octanoateFL/FR
 lavender absolute bulgariaFL/FR
 linalyl formateFL/FR
 nonisyl acetateFR
 phenethyl senecioateFL/FR
honey
 methyl hydrocinnamateFL/FR
oily
(R)-(-)-2-butanol 
roasted
2-methyl-1-butanolFL/FR
spicy
alpha-amyl cinnamyl alcoholFL/FR
 cadinadiene 
 cinnamyl propionateFL/FR
 elemi oil fractionsFR
(E)-propyl 2-furan acrylateFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl laurateFL/FR
 dihydrocitronellyl acetateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
2-hexanolFL/FR
 methyl 3-acetoxyoctanoateFL/FR
woody
 kaempferia galanga rhizome oilFL/FR
 santalyl butyrateFL/FR
 
For Flavor
 
No flavor group found for these
 amyl octanoateFL/FR
isoamyl tiglateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
 benzyl ethyl malonate 
 benzyl methyl tiglateFL
(R)-(-)-2-butanol 
2-butyl furanFL
1-isobutyl-2-methyl butyl 2-butenoate 
isobutyraldehyde propylene glycol acetalFL
 cadinadiene 
(Z)-4-decen-1-yl acetateFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl malateFL/FR
 dihydrocitronellyl acetateFL/FR
1,2-dimethyl propyl 2-butenoate 
 dodecyl propionateFL/FR
 ethyl 3-hydroxyoctanoateFL
 ethyl aconitateFL
 ethyl ortho-anisateFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
 geranyl octanoateFL/FR
 geranyl valerateFL/FR
2-hexanolFL/FR
2-hexylidene cyclopentanoneFL/FR
 linalyl formateFL/FR
 methyl 3-acetoxyoctanoateFL/FR
 methyl furoate 
 methyl hydrocinnamateFL/FR
2-methyl-1-butanolFL/FR
 oenanthic etherFL
 phenethyl senecioateFL/FR
2-phenethyl valerateFL/FR
 propyl 2-methyl butyrateFL/FR
 propyl angelate 
 santalyl butyrateFL/FR
 sorbyl propionateFL
 hexyl 3-mercaptobutanoateFL
balsamic
 ethyl cinnamateFL/FR
 phenethyl pivalateFL/FR
 tolu balsam oilFL/FR
camphoreous
 kaempferia galanga rhizome oilFL/FR
caramellic
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
cheesy
2-heptanoneFL/FR
citrus
 styralyl propionateFL/FR
ethereal
isobutyl alcoholFL/FR
 methyl acetateFL/FR
fatty
isoamyl laurateFL/FR
 methyl decanoateFL/FR
floral
 cinnamyl propionateFL/FR
 citronellyl acetateFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 geranium oil bourbonFL/FR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 rhodinyl acetateFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
 rose oil (rosa damascena) russiaFL/FR
fruity
isoamyl acetoacetateFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
 citronellyl anthranilateFL/FR
 diethyl sebacateFL/FR
 dimethyl anthranilateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl heptanoateFL/FR
(E)-ethyl tiglateFL/FR
 geranyl butyrateFL/FR
 hexyl phenyl acetateFL/FR
2-pentanoneFL/FR
 phenethyl isovalerateFL/FR
(E)-propyl 2-furan acrylateFL/FR
 rose butanoateFL/FR
 sorbyl butyrateFL/FR
 terpinyl cinnamateFL/FR
fusel
white cognac oilFL/FR
green cognac oilFL/FR
greasy
10-undecen-1-yl acetateFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
(E)-citronellyl tiglateFL/FR
 geranyl formateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 hexyl isobutyrateFL/FR
 octanal diethyl acetalFL/FR
 octyl formateFL/FR
(Z)-rose oxideFL/FR
herbal
 lavender absolute bulgariaFL/FR
honey
 phenethyl isobutyrateFL/FR
musty
 propionaldehydeFL
spicy
alpha-amyl cinnamyl alcoholFL/FR
para-anisyl methyl ketoneFL/FR
 cinnamyl cinnamateFL/FR
waxy
 allyl nonanoateFL/FR
 butyl undecylenateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 geranyl propionateFL/FR
 propyl heptanoateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
 cinnamyl butyrateFL/FR
 methyl nonanoateFL/FR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 
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Potential Uses:
 floralFR
 fruitFR
 spiceFR
 wineFR
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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
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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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