Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | colorless clear liquid (est) |
Assay: | 98.00 to 100.00 %
|
Additional Assay Information: | racemate |
Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.97700 to 0.98300 @ 25.00 °C.
|
Pounds per Gallon - (est).: | 8.130 to 8.180
|
Refractive Index: | 1.48000 to 1.48600 @ 20.00 °C.
|
Boiling Point: | 242.00 to 243.00 °C. @ 760.00 mm Hg
|
Boiling Point: | 80.00 °C. @ 3.00 mm Hg
|
Acid Value: | 1.00 max. KOH/g
|
Vapor Pressure: | 0.033000 mmHg @ 25.00 °C. (est) |
Flash Point: | 196.00 °F. TCC ( 91.11 °C. )
|
logP (o/w): | 3.155 (est) |
Soluble in: |
| alcohol | | water, very slightly | | water, 58.95 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Organoleptic Properties:
|
Odor Type: floral |
|
| fruity tropical jasmin green mango |
Odor Description: at 100.00 %. | fruity tropical jasmin green mango |
|
Odor and/or flavor descriptions from others (if found). |
|
Firmenich |
METHYLPHENYLCARBINOL ISOBUTYRATE min. 98%, Kosher |
Taste Description: | Powerful floral, fruity, fleshy and woody notes METHYLPHENYLCARBINOL ISOBUTYRATE brings very nice guava and jasmin profiles which are excellent for all types of exotic, citrus, tropical, kiwi and red fruits flavors. |
|
|
Cosmetic Information:
Suppliers:
Safety Information:
European information : |
Most important hazard(s): | Xi - Irritant |
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
|
|
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 |
RIFM Fragrance Material Safety Assessment: Search |
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
Recommendation for styralyl isobutyrate usage levels up to: | | 8.0000 % in the fragrance concentrate.
|
|
Maximised Survey-derived Daily Intakes (MSDI-EU): | 24.00 (μg/capita/day) |
Maximised Survey-derived Daily Intakes (MSDI-USA): | 1.00 (μg/capita/day) |
Threshold of Concern: | 1800 (μg/person/day) |
Structure Class: | I |
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library |
publication number: 3 |
Click here to view publication 3 |
| average usual ppm | average maximum ppm |
baked goods: | - | 10.00000 |
beverages(nonalcoholic): | - | 2.00000 |
beverages(alcoholic): | - | - |
breakfast cereal: | - | - |
cheese: | - | - |
chewing gum: | - | - |
condiments / relishes: | - | - |
confectionery froastings: | - | - |
egg products: | - | - |
fats / oils: | - | - |
fish products: | - | - |
frozen dairy: | - | 10.00000 |
fruit ices: | - | 10.00000 |
gelatins / puddings: | - | - |
granulated sugar: | - | - |
gravies: | - | - |
hard candy: | - | 10.00000 |
imitation dairy: | - | - |
instant coffee / tea: | - | - |
jams / jellies: | - | - |
meat products: | - | - |
milk products: | - | - |
nut products: | - | - |
other grains: | - | - |
poultry: | - | - |
processed fruits: | - | - |
processed vegetables: | - | - |
reconstituted vegetables: | - | - |
seasonings / flavors: | - | - |
snack foods: | - | - |
soft candy: | - | - |
soups: | - | - |
sugar substitutes: | - | - |
sweet sauces: | - | - |
Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s): |
The FEMA GRAS assessment of aromatic substituted secondary alcohols, ketones, and related esters used as flavor ingredients. View pdf |
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) related to Flavouring Group Evaluation 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
Flavouring Group Evaluation 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting), structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16Rev2 View page or View pdf |
EPI System: | View |
AIDS Citations: | Search |
Cancer Citations: | Search |
Toxicology Citations: | Search |
EPA Substance Registry Services (TSCA): | 7775-39-5 |
EPA ACToR: | Toxicology Data |
EPA Substance Registry Services (SRS): | Registry |
Laboratory Chemical Safety Summary : | 569214 |
National Institute of Allergy and Infectious Diseases: | Data |
WGK Germany: | 1 |
| 1-phenylethyl 2-methylpropanoate |
Chemidplus: | 0007775395 |
References:
Other Information:
Potential Blenders and core components note
|
For Odor |
No odor group found for these |
|
| curcuma amada roxb. rhizome oil | CS |
aromatic |
(4E,9Z)-13- | methyloxacyclopentadeca-4,9-dien-2-one | FR |
balsamic |
iso | amyl benzoate | FL/FR |
| ethyl alpha-acetyl cinnamate | FL/FR |
iso | propyl cinnamate | FL/FR |
berry |
| berry fragrance | FR |
| blueberry fragrance | FR |
| blueberry specialty | FR |
caramellic |
| maltyl isobutyrate | FL/FR |
| strawberry furanone acetate | FL/FR |
citrus |
| grapefruit specialty | FR |
2- | heptanol | FL/FR |
coconut |
| tetrahydrojasmone | FR |
ethereal |
2- | methyl valeraldehyde | FL/FR |
iso | propyl formate | FL/FR |
iso | valeraldehyde propylene glycol acetal | FL/FR |
fatty |
| allyl octanoate | FL/FR |
| methyl (E)-2-hexenoate | FL/FR |
floral |
| acetal 318 | FR |
alpha- | amyl cinnamaldehyde | FL/FR |
alpha- | amyl cinnamaldehyde dimethyl acetal | FL/FR |
para- | anisyl butyrate | FL/FR |
| benzyl acetate | FL/FR |
| blue lagoon fragrance | FR |
| boronia absolute | FL/FR |
alpha- | butyl cinnamaldehyde | FL/FR |
| cassis specialty | FR |
| citronellyl acetate | FL/FR |
black | currant bud concrete | FL/FR |
| damascate | FR |
| dihydroisojasmonate methyl ester | FR |
| dimethyl benzyl carbinyl acetate | FL/FR |
| ethyl linalyl acetate | FR |
iso | eugenyl ethyl acetal | FR |
| frangipani specialty | FR |
| gardenia taitensis flower absolute | FR |
| gelsone (IFF) | FL/FR |
| herbal pyran | FR |
alpha- | hexyl cinnamaldehyde | FL/FR |
| hibiscus fragrance | FR |
alpha- | ionone | FL/FR |
| iris specialty | FR |
| jasmin cyclopentanone | FR |
| methyl dihydrojasmonate | FL/FR |
3- | nonanone | FL/FR |
beta- | ocimene | FL/FR |
bitter | orangeflower absolute morocco | FL/FR |
| phenethyl acetate | FL/FR |
2- | phenyl propyl isobutyrate | FL/FR |
(Z,E)- | phytol | FL/FR |
| rhodinyl butyrate | FL/FR |
| rhodinyl isobutyrate | FL/FR |
| rose butanoate | FL/FR |
fruity |
| allyl amyl glycolate | FR |
| allyl butyrate | FL/FR |
| allyl cyclohexyl propionate | FL/FR |
| almond specialty | FR |
iso | amyl butyrate | FL/FR |
iso | amyl isovalerate | FL/FR |
iso | amyl octanoate | FL/FR |
iso | amyl propionate | FL/FR |
| apple pear fragrance | FR |
| apricot peach fragrance | FR |
| apricot specialty | FR |
| benzyl butyrate | FL/FR |
| berry hexanoate | FR |
iso | butyl isobutyrate | FL/FR |
| butyl isobutyrate | FL/FR |
iso | butyl propionate | FL/FR |
2-iso | butyl-5-methyl thiazole | |
wild | cherry fragrance | FR |
| cherry pentenoate | FL/FR |
2- | cyclopentyl cyclopentanone | FL/FR |
| diethyl malonate | FL/FR |
| dimethyl succinate | FL/FR |
| ethyl (Z)-4-heptenoate | FL/FR |
| ethyl 2-cyclohexyl propionate | FR |
| ethyl 2-octenoate | FL/FR |
| ethyl 3-acetoxyhexanoate | FL/FR |
| ethyl 3,5,5-trimethyl hexanoate | FR |
| ethyl acetoacetate | FL/FR |
| fruit fragrance | FR |
| geranyl methyl tiglate | |
| heptanal cyclic ethylene acetal | FR |
| heptyl butyrate | FL/FR |
2- | hexen-1-ol | FL/FR |
(E)-3- | hexen-1-yl acetate | FL/FR |
(Z)-3- | hexen-1-yl isobutyrate | FL/FR |
2- | hexenyl cyclopentanyl acetate | FR |
| hexyl (E)-tiglate | FL/FR |
| hexyl acetate | FL/FR |
| kiwi specialty | FR |
| lippia javanica leaf oil | FR |
| lychee fragrance | FR |
| methyl 3-nonenoate | FL/FR |
2- | methyl butyl 2-methyl butyrate | FL/FR |
| methyl cyclohexyl acetate | FR |
| methyl heptanoate | FL/FR |
| neocaspirene | FL/FR |
| nerolidyl isobutyrate | FR |
| octen-1-yl cyclopentanone | FL/FR |
| octyl butyrate | FL/FR |
| papaya fragrance | FR |
| papaya specialty | FR |
| passion fruit fragrance | FR |
| peach cyclopentanone | FR |
2- | pentyl furan | FL/FR |
| pineapple pentenoate | FL/FR |
| prenol | FL/FR |
| prenyl acetate | FL/FR |
| prenyl ethyl ether | FL/FR |
| prenyl hexanoate | FL/FR |
iso | propyl 2-methyl butyrate | FL/FR |
| propyl hexanoate | FL/FR |
| propyl isobutyrate | FL/FR |
| rhubarb undecane | FR |
| strawberry furanone butyrate | FL/FR |
| tetrahydrofurfuryl butyrate | FL/FR |
| tropical fruit specialty | FR |
| tropical indene | FR |
| tropical ionone | FL/FR |
| tropical thiazole | FL/FR |
green |
iso | amyl formate | FL/FR |
alpha- | decalactone | FL/FR |
| ethyl (E,Z)-2,4-decadienoate | FL/FR |
| galbanum specialty | FR |
| heptanal dimethyl acetal | FL/FR |
(Z)-3- | hexen-1-yl (E)-2-hexenoate | FL/FR |
(E)-2- | hexen-1-yl formate | FL/FR |
(E)-2- | hexen-1-yl hexanoate | FL/FR |
(Z)-3- | hexen-1-yl hexanoate | FL/FR |
(Z)-3- | hexen-1-yl isovalerate | FL/FR |
| hexen-1-yl oxypropane nitrile | FR |
| hexyl hexanoate | FL/FR |
| hexyl octanoate | FL/FR |
| manzanate (Givaudan) | FL/FR |
| methyl R-3-acetoxyhexanoate | |
1- | penten-3-ol | FL/FR |
| phenoxyethyl isobutyrate | FL/FR |
| propylene acetal | FL/FR |
2,2,4- | trimethyl-1,3-oxathiane | |
| violet dienyne | FR |
herbal |
6- | acetoxydihydrotheaspirane | FL/FR |
| barosma betulina leaf oil | FL/FR |
(E)-6- | methyl-3-hepten-2-one | FL/FR |
| viridiflorol | FL/FR |
spicy |
| bubble gum fragrance | FR |
| cadinadiene | |
| spicy acetoacetate | FL/FR |
| buchu mercaptan | FL/FR |
| cassis pentanone | FL/FR |
| lychee mercaptan acetate | FL/FR |
| mango thiol | FL/FR |
| passiflora acetate | FL/FR |
S- | tropical 2-thiobutyrate | FL/FR |
4- | tropical oxathiane | FL/FR |
tropical |
beta- | cyclocitral | FL/FR |
cis- | galbanum oxathiane | FL/FR |
| hexyl 2-methyl-3-pentenoate | FL/FR |
3- | nonen-4-olide | FL/FR |
| passiflora edulis fruit extract | FL/FR |
| passiflora edulis fruit water | FL/FR |
| pina colada fragrance | FR |
| triflaige A (ZEON) | FR |
| tropical 3-thiobutyrate | FL/FR |
2- | tropical oxathiane | FL/FR |
waxy |
(E,E)-2,4- | dodecadien-1-ol | |
| nonyl acetate | FL/FR |
| octyl 2-methyl butyrate | FL/FR |
woody |
| verdoxan | FR |
yeasty |
2- | octen-4-one | FL/FR |
|
For Flavor |
|
No flavor group found for these |
6- | acetoxydihydrotheaspirane | FL/FR |
iso | amyl 3-methyl thiopropionate | FL |
alpha- | amyl cinnamaldehyde dimethyl acetal | FL/FR |
2-iso | butyl-5-methyl thiazole | |
| cadinadiene | |
2- | cyclopentyl cyclopentanone | FL/FR |
alpha- | decalactone | FL/FR |
2,5- | diethyl-4-propyl thiazole | FL |
S-(2,5- | dimethyl-3-furyl) ethane thioate | FL |
(E,E)-2,4- | dodecadien-1-ol | |
| ethyl 2-(methyl thio) acetate | FL |
| ethyl 3-acetoxyhexanoate | FL/FR |
| ethyl 3-octenoate | FL |
| ethyl alpha-acetyl cinnamate | FL/FR |
2- | hexenal | FL |
2- | hexenal diethyl acetal | FL |
| hexyl (E)-2-hexenoate | FL |
| methyl (E)-2-hexenoate | FL/FR |
| methyl 2-(methyl thio) acetate | FL |
(E)-2- | methyl-2-octenal | FL |
2- | methyl-2-octenal | FL |
(E)-6- | methyl-3-hepten-2-one | FL/FR |
3- | methyl-3-pentanol | FL |
| neocaspirene | FL/FR |
3- | nonen-4-olide | FL/FR |
(E,E)-3,5- | octadien-2-one | FL |
2- | phenyl propyl isobutyrate | FL/FR |
| prenyl ethyl ether | FL/FR |
| prenyl hexanoate | FL/FR |
S- | prenyl thioisobutyrate | FL |
S- | prenyl thioisovalerate | FL |
| propylene acetal | FL/FR |
| sorbyl propionate | FL |
2,2,4- | trimethyl-1,3-oxathiane | |
S- | tropical 2-thiobutyrate | FL/FR |
| viridiflorol | FL/FR |
|
| allyl thiohexanoate | FL |
alpha- | butyl cinnamaldehyde | FL/FR |
alliaceous |
| tropical thiazole | FL/FR |
anisic |
para- | anisyl butyrate | FL/FR |
balsamic |
(Z,E)- | phytol | FL/FR |
iso | propyl cinnamate | FL/FR |
caramellic |
| strawberry furanone acetate | FL/FR |
cheesy |
| methyl ketones | FL |
cooling |
| manzanate (Givaudan) | FL/FR |
creamy |
| triacetin | FL |
estery |
| ethyl acetoacetate | FL/FR |
fatty |
| allyl octanoate | FL/FR |
floral |
| citronellyl acetate | FL/FR |
| dimethyl benzyl carbinyl acetate | FL/FR |
alpha- | ionone | FL/FR |
| methyl dihydrojasmonate | FL/FR |
bitter | orangeflower absolute morocco | FL/FR |
| rhodinyl butyrate | FL/FR |
| rhodinyl isobutyrate | FL/FR |
| tropical ionone | FL/FR |
fruity |
| allyl cyclohexyl propionate | FL/FR |
iso | amyl benzoate | FL/FR |
iso | amyl octanoate | FL/FR |
iso | amyl propionate | FL/FR |
| benzyl acetate | FL/FR |
| benzyl butyrate | FL/FR |
| boronia absolute | FL/FR |
iso | butyl isobutyrate | FL/FR |
| butyl isobutyrate | FL/FR |
iso | butyl propionate | FL/FR |
| cherry pentenoate | FL/FR |
black | currant bud concrete | FL/FR |
| diethyl malonate | FL/FR |
| dimethyl succinate | FL/FR |
2,6- | dipropyl-5,6-dihydro-2H-thiopyran-3-carboxaldehyde | FL |
| ethyl (E)-2-octenoate | FL |
| ethyl (Z)-4-heptenoate | FL/FR |
| ethyl 2-octenoate | FL/FR |
| furfuryl propionate | FL |
| geranyl methyl tiglate | |
2- | heptanol | FL/FR |
2- | hexen-1-ol | FL/FR |
(Z)-3- | hexen-1-yl (E)-2-hexenoate | FL/FR |
(E)-3- | hexen-1-yl acetate | FL/FR |
(Z)-3- | hexen-1-yl isobutyrate | FL/FR |
| hexyl 2-methyl-3-pentenoate | FL/FR |
| hexyl acetate | FL/FR |
| hexyl hexanoate | FL/FR |
3- | mercaptohexyl hexanoate | FL |
| methyl (E)-3-nonenoate | FL |
| methyl 3-nonenoate | FL/FR |
2- | methyl butyl 2-methyl butyrate | FL/FR |
| methyl heptanoate | FL/FR |
| octen-1-yl cyclopentanone | FL/FR |
| passion fruit distillates | FL |
| pineapple pentenoate | FL/FR |
| prenol | FL/FR |
| prenyl acetate | FL/FR |
iso | propyl 2-methyl butyrate | FL/FR |
iso | propyl formate | FL/FR |
| propyl hexanoate | FL/FR |
| propyl isobutyrate | FL/FR |
| rose butanoate | FL/FR |
| strawberry furanone butyrate | FL/FR |
| tetrahydrofurfuryl butyrate | FL/FR |
4- | tropical oxathiane | FL/FR |
iso | valeraldehyde propylene glycol acetal | FL/FR |
green |
| allyl butyrate | FL/FR |
iso | amyl formate | FL/FR |
iso | amyl isovalerate | FL/FR |
| cassis pentanone | FL/FR |
| ethyl (E,Z)-2,4-decadienoate | FL/FR |
cis- | galbanum oxathiane | FL/FR |
| gelsone (IFF) | FL/FR |
| heptanal dimethyl acetal | FL/FR |
| heptyl butyrate | FL/FR |
(Z)-3- | hexen-1-yl hexanoate | FL/FR |
(E)-2- | hexen-1-yl hexanoate | FL/FR |
(Z)-3- | hexen-1-yl isovalerate | FL/FR |
(E)-2- | hexenal diethyl acetal | FL |
| hexyl (E)-tiglate | FL/FR |
| hexyl octanoate | FL/FR |
| methyl 2-undecynoate | FL |
| methyl R-3-acetoxyhexanoate | |
3- | nonanone | FL/FR |
beta- | ocimene | FL/FR |
1- | penten-3-ol | FL/FR |
2- | pentyl furan | FL/FR |
| phenoxyethyl isobutyrate | FL/FR |
herbal |
| barosma betulina leaf oil | FL/FR |
| buchu oil fractions | FL |
honey |
| phenethyl acetate | FL/FR |
jammy |
| maltyl isobutyrate | FL/FR |
juicy |
| lychee mercaptan acetate | FL/FR |
rummy |
(E)-2- | hexen-1-yl formate | FL/FR |
spicy |
| spicy acetoacetate | FL/FR |
sulfurous |
| buchu mercaptan | FL/FR |
| mango thiol | FL/FR |
| methyl 2-(methyl thio) butyrate | FL |
| methyl thiomethyl butyrate | FL |
| tropical 3-thiobutyrate | FL/FR |
tropical |
alpha- | amyl cinnamaldehyde | FL/FR |
| anacardium occidentale fruit puree | FL |
beta- | cyclocitral | FL/FR |
3- | mercaptohexyl butyrate | FL |
| passiflora acetate | FL/FR |
| passiflora edulis fruit extract | FL/FR |
| passiflora edulis fruit water | FL/FR |
2- | tropical oxathiane | FL/FR |
vegetable |
2- | methyl valeraldehyde | FL/FR |
2- | octen-4-one | FL/FR |
waxy |
iso | amyl butyrate | FL/FR |
alpha- | hexyl cinnamaldehyde | FL/FR |
| nonyl acetate | FL/FR |
| octyl 2-methyl butyrate | FL/FR |
| octyl butyrate | FL/FR |
|
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
iso | butyric acid alpha-methyl benzyl ester | iso | butyric acid phenylethyl ester | alpha- | methyl benzyl 2-methyl propanoate | alpha- | methyl benzyl isobutyrate | | methyl phenyl carbinyl isobutyrate | 2- | methyl propanoic acid 1-phenyl ethyl ester | alpha- | methylbenzyl isobutyrate | | methylphenylcarbinol isobutyrate | 1- | phenethyl isobutyrate | 1- | phenyl ethyl isobutyrate | 1- | phenyl-1-ethyl 2-methyl propanoate | 1- | phenyl-1-ethyl isobutyrate | 1- | phenylethyl 2-methylpropanoate | 1- | phenylethyl isobutyrate | a- | phenylethyl isobutyrate | | phenylethyl methylpropanoate | | propanoic acid, 2-methyl-, 1-phenylethyl ester | | styrallyl isobutyrate | | styrallyl isobutyrate natural |
Articles:
|