Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | colorless clear liquid (est) |
Assay: | 95.00 to 100.00 %
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.86200 to 0.86800 @ 25.00 °C.
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Pounds per Gallon - (est).: | 7.173 to 7.223
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Refractive Index: | 1.40800 to 1.41400 @ 20.00 °C.
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Boiling Point: | 176.00 to 177.00 °C. @ 760.00 mm Hg
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Vapor Pressure: | 1.090000 mmHg @ 25.00 °C. (est) |
Flash Point: | 138.00 °F. TCC ( 58.89 °C. )
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logP (o/w): | 3.177 (est) |
Soluble in: |
| alcohol | | water, 117.8 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Organoleptic Properties:
Cosmetic Information:
Suppliers:
Safety Information:
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
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Pictogram | |
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Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Oral/Parenteral Toxicity: |
Not determined
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Dermal Toxicity: |
Not determined
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Inhalation Toxicity: |
Not determined
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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 |
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Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.10 (μg/capita/day) |
Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) |
Threshold of Concern: | 1800 (μg/person/day) |
Structure Class: | I |
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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/kg | maximum usage mg/kg |
Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 |
Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 |
Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 |
Processed fruit (04.1): | 7.00000 | 35.00000 |
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
Confectionery (05.0): | 10.00000 | 50.00000 |
Chewing gum (05.0): | - | - |
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 |
Bakery wares (07.0): | 10.00000 | 50.00000 |
Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 |
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 |
Eggs and egg products (10.0): | - | - |
Sweeteners, including honey (11.0): | - | - |
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 |
Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 |
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 |
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 |
Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 |
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 |
Safety References:
References:
Other Information:
Potential Blenders and core components note
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For Odor |
animal |
| methyl (E)-2-octenoate | FL/FR |
balsamic |
| cinnamyl benzoate | FL/FR |
buttery |
| acetoin propylene glycol acetal | FL/FR |
| apple butter fragrance | FR |
estery |
(Z)-4- | octen-1-yl acetate | |
ethereal |
iso | propyl acetate | FL/FR |
fatty |
7- | decen-4-olide | FL/FR |
fermented |
| hexanal diethyl acetal | FL/FR |
floral |
| benzyl lactate | FL/FR |
(Z)-alpha- | damascone | FL/FR |
alpha- | damascone | FL/FR |
gamma- | damascone | FR |
| geranium oil egypt fractions | FR |
| hexyl 2-furoate | FL/FR |
| methyl citronellate | FL/FR |
| neryl acetate | FL/FR |
fruity |
| acetaldehyde hexyl isoamyl acetal | FL/FR |
| allyl propionate | FL/FR |
| amyl 2-methyl butyrate | FL/FR |
| amyl acetate | FL/FR |
iso | amyl butyrate | FL/FR |
| amyl isobutyrate | FL/FR |
| amyl isovalerate | FL/FR |
iso | amyl propionate | FL/FR |
| apple crotonate | FR |
| apple ketal | FL/FR |
| benzyl isovalerate | FL/FR |
| butyl isovalerate | FL/FR |
| cyclohexyl butyrate | FL/FR |
(E)-alpha- | damascone | FL/FR |
(S)-delta- | decalactone | FL/FR |
| eriocephalus punctulatus flower oil | FR |
| ethyl (E)-4-octenoate | FR |
| ethyl acetoacetate | FL/FR |
| ethyl isovalerate | FL/FR |
| ethyl valerate | FL/FR |
| fruity ketal | FL/FR |
| geranyl 2-methyl butyrate | FL/FR |
(Z)-3- | hexen-1-yl isobutyrate | FL/FR |
| hexyl (E)-tiglate | FL/FR |
| hexyl isovalerate | FL/FR |
| methyl (Z)-4-decenoate | FL/FR |
| methyl 2-methyl butyrate | FL/FR |
| methyl isovalerate | FL/FR |
| methyl nonanoate | FL/FR |
2- | methyl-2-pentenyl acetate | FR |
| nonyl isovalerate | FL/FR |
(Z)-3- | octen-1-yl propionate | FL/FR |
| propyl 2-methyl butyrate | FL/FR |
iso | propyl 2-methyl butyrate | FL/FR |
| propyl butyrate | FL/FR |
| propyl heptanoate | FL/FR |
| propyl isovalerate | FL/FR |
iso | propyl isovalerate | FL/FR |
| strawberry furanone butyrate | FL/FR |
| strawberry glycidate 1 (aldehyde C-16 (so-called)) | FL/FR |
(E,E)-5,6,7,7- | tetramethyl-2,5-octadien-4-one | FR |
green |
| butyl heptanoate | FL/FR |
| ethyl (E,Z)-2,4-decadienoate | FL/FR |
| ethyl (E)-2-decenoate | FL/FR |
| green note propionate | FL/FR |
| heptyl acetate | FL/FR |
(Z)-3- | hexen-1-yl (E)-2-hexenoate | FL/FR |
(Z)-3- | hexen-1-yl 2-methyl butyrate | FL/FR |
(Z)-3- | hexen-1-yl acetate | FL/FR |
(Z)-3- | hexen-1-yl angelate | FR |
(E)-2- | hexen-1-yl butyrate | FL/FR |
(E)-2- | hexen-1-yl hexanoate | FL/FR |
(E)-2- | hexen-1-yl propionate | FL/FR |
(Z)-3- | hexen-1-yl propionate | FL/FR |
(Z)-3- | hexen-1-yl valerate | FL/FR |
(E)-2- | hexen-1-yl valerate | FL/FR |
(Z)-3- | hexenal | FL/FR |
3- | hexenal | FL/FR |
(E)-2- | hexenal propylene glycol acetal | FL/FR |
(Z)-3- | hexenyl methyl ether | FR |
| hexyl 2-methyl butyrate | FL/FR |
| hexyl butyrate | FL/FR |
| hexyl isobutyrate | FL/FR |
| methyl (E)-3-hexenoate | FL/FR |
(E,Z)-3,6- | nonadien-1-yl acetate | FL/FR |
3,6- | nonadien-1-yl acetate | FL/FR |
3- | octyl formate | FL/FR |
(E)-2- | pentenal | FL/FR |
| propyl tiglate | FL/FR |
| sorbyl isobutyrate | FL/FR |
(E,E)- | sorbyl isobutyrate | FL/FR |
musk |
| musk propanoate | FR |
soapy |
| ethyl undecanoate | FL/FR |
tropical |
| ethyl (Z)-3-hexenoate | FL/FR |
| hexyl 2-methyl-3-pentenoate | FL/FR |
waxy |
| ethyl decanoate | FL/FR |
(E)-2- | tridecen-1-yl acetate | FL/FR |
woody |
lariciu | pine needle oil | FR |
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For Flavor |
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No flavor group found for these |
| acetaldehyde hexyl isoamyl acetal | FL/FR |
| acetone | FL |
| allyl cyclohexyl valerate | FL |
| amyl 2-methyl butyrate | FL/FR |
| amyl isobutyrate | FL/FR |
| amyl isovalerate | FL/FR |
| benzyl lactate | FL/FR |
| cinnamyl benzoate | FL/FR |
| cyclohexyl butyrate | FL/FR |
(Z)-alpha- | damascone | FL/FR |
(S)-delta- | decalactone | FL/FR |
9- | decen-2-one | FL |
7- | decen-4-olide | FL/FR |
| ethyl (Z)-3-hexenoate | FL/FR |
| geranyl 2-methyl butyrate | FL/FR |
| hexanal diethyl acetal | FL/FR |
(E)-3- | hexenal | FL |
(E)-2- | hexenal propylene glycol acetal | FL/FR |
2- | hexyl acetate | FL |
| methyl (Z)-4-decenoate | FL/FR |
| nonyl isovalerate | FL/FR |
4,5- | octane dione | FL |
(Z)-4- | octen-1-yl acetate | |
| propyl 2-methyl butyrate | FL/FR |
iso | propyl isovalerate | FL/FR |
| propyl isovalerate | FL/FR |
| propyl tiglate | FL/FR |
(E,E)- | sorbyl isobutyrate | FL/FR |
(E)-2- | tridecen-1-yl acetate | FL/FR |
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| sorbyl isobutyrate | FL/FR |
alliaceous |
| allyl propionate | FL/FR |
buttery |
| acetoin propylene glycol acetal | FL/FR |
estery |
| ethyl acetoacetate | FL/FR |
ethereal |
iso | propyl acetate | FL/FR |
fatty |
2,4- | undecadienal | FL |
floral |
| methyl citronellate | FL/FR |
| neryl acetate | FL/FR |
fruity |
| amyl acetate | FL/FR |
iso | amyl propionate | FL/FR |
| apple ketal | FL/FR |
| benzyl isovalerate | FL/FR |
| butyl heptanoate | FL/FR |
| butyl isovalerate | FL/FR |
alpha- | damascone | FL/FR |
(E)-alpha- | damascone | FL/FR |
| ethyl (E)-2-decenoate | FL/FR |
| ethyl isovalerate | FL/FR |
| ethyl valerate | FL/FR |
| fruity ketal | FL/FR |
| furfuryl valerate | FL |
(Z)-3- | hexen-1-yl (E)-2-hexenoate | FL/FR |
(Z)-3- | hexen-1-yl isobutyrate | FL/FR |
| hexyl 2-methyl-3-pentenoate | FL/FR |
| methyl (E)-2-octenoate | FL/FR |
| methyl 2-methyl butyrate | FL/FR |
| methyl isovalerate | FL/FR |
(Z)-3- | octen-1-yl propionate | FL/FR |
iso | propyl 2-methyl butyrate | FL/FR |
| propyl butyrate | FL/FR |
| strawberry furanone butyrate | FL/FR |
| strawberry glycidate 1 (aldehyde C-16 (so-called)) | FL/FR |
green |
| ethyl (E,Z)-2,4-decadienoate | FL/FR |
| green note propionate | FL/FR |
| heptyl acetate | FL/FR |
(Z)-3- | hexen-1-yl 2-methyl butyrate | FL/FR |
(Z)-3- | hexen-1-yl acetate | FL/FR |
(E)-2- | hexen-1-yl butyrate | FL/FR |
(E)-2- | hexen-1-yl hexanoate | FL/FR |
(Z)-3- | hexen-1-yl propionate | FL/FR |
(E)-2- | hexen-1-yl propionate | FL/FR |
(Z)-3- | hexen-1-yl valerate | FL/FR |
(E)-2- | hexen-1-yl valerate | FL/FR |
(Z)-3- | hexenal | FL/FR |
3- | hexenal | FL/FR |
| hexyl (E)-tiglate | FL/FR |
| hexyl 2-furoate | FL/FR |
| hexyl 2-methyl butyrate | FL/FR |
| hexyl butyrate | FL/FR |
| hexyl isobutyrate | FL/FR |
| hexyl isovalerate | FL/FR |
| methyl (E)-3-hexenoate | FL/FR |
(E,Z)-3,6- | nonadien-1-yl acetate | FL/FR |
3,6- | nonadien-1-yl acetate | FL/FR |
(E)-2- | pentenal | FL/FR |
herbal |
5- | hydroxymethyl furfural | FL |
waxy |
iso | amyl butyrate | FL/FR |
| ethyl decanoate | FL/FR |
| ethyl undecanoate | FL/FR |
3- | octyl formate | FL/FR |
| propyl heptanoate | FL/FR |
winey |
| methyl nonanoate | FL/FR |
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Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| butanoic acid 2-methylbutyl ester | | butanoic acid, 2-methyl butyl ester | | butanoic acid, 2-methylbutyl ester | | butyric acid 2-methylbutyl ester | 2- | methyl butyl butanoate | 2 | methyl butyl butyrate | nat.2- | methyl butyl butyrate | 2- | methyl butyl-N-butyrate | | methyl-2-butyl-butyrate | 2- | methylbutyl butanoate | 2- | methylbutyl butyrate | 2- | methylbutyl butyrate natural |
Articles:
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