CAS Number: | 623-36-9 | 3D/inchi
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ECHA EINECS - REACH Pre-Reg: | 210-789-5 |
FDA UNII: | 947O3MC76M |
Beilstein Number: | 0506124 |
MDL: | MFCD00006978 |
CoE Number: | 2129 |
XlogP3-AA: | 1.40 (est) |
Molecular Weight: | 98.14490000 |
Formula: | C6 H10 O |
BioActivity Summary: | listing |
NMR Predictor: | Predict (works with chrome, Edge or firefox) |
Also(can) Contains: | (E)-2-methyl-2-pentenal |
EFSA/JECFA Comments: | At least 92%; secondary components 1.5-2.5% propionaldehyde and 3.5-4.5% propionic acid. (EFSA)
Mainly E-isomer (> 90%). Secondary components (E) and (Z)-2-methyl-2-pentenoic acid (< 0.5% in fresh samples, up to 1% in samples after storage)
The chemical name should be changed to 2-methylpent-(2E)-enal and the CAS number to 14250-96-5; the purity requirement for the named compound [FL-no: 05.090] should be updated to ‘at least 95%’, according to the specifcations provided (Documentation provided to EFSA nr: 1)
90% (E) isomer 5% (Z)- isomer SC: 2-methyl-2-pentenoic acid up to 1% |
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: | 0.84800 to 0.85900 @ 25.00 °C.
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Pounds per Gallon - (est).: | 7.056 to 7.148
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Refractive Index: | 1.44500 to 1.45200 @ 20.00 °C.
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Boiling Point: | 137.00 °C. @ 765.00 mm Hg
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Boiling Point: | 135.00 to 136.00 °C. @ 760.00 mm Hg (est)
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Vapor Pressure: | 7.341000 mmHg @ 25.00 °C. (est) |
Vapor Density: | 3.3 ( Air = 1 ) |
Flash Point: | 89.00 °F. TCC ( 31.67 °C. )
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logP (o/w): | 1.700 (est) |
Soluble in: |
| alcohol | | dipropylene glycol | | water, 4710 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Organoleptic Properties:
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Odor Type: fruity |
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| green grassy fruity gassy |
Odor Description: at 10.00 % in dipropylene glycol. | powerful green grass somewhat fruity gassy |
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| pungent fruity juicy ripe aldehydic |
Odor Description:
| Pungent, fruity with a juicy ripe aldehydic nuance Mosciano, Gerard P&F 18, No. 1, 43, (1993) |
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Flavor Type: fruity |
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| sweet fruity jammy brown alliaceous sharp |
Taste Description: at 20.00 ppm. | Sweet, fruity, jammy brown, with an alliaceous sharpness Mosciano, Gerard P&F 18, No. 1, 43, (1993) |
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Odor and/or flavor descriptions from others (if found). |
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Kingchem Laboratories |
2 METHYL 2 PENTENAL |
Odor Description: | Powerful green grassy and diffusive odor, slightly fruity |
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Alfrebro |
2-METHYL-2-PENTENAL NATURAL |
Odor Description: | Fruity, Spicy, Powerfull, Grassy |
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Taytonn ASCC |
2-Methyl-2-pentenal |
Odor Description: | Aldehydic/ Aldehyde, Grass, Green |
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FCI SAS |
2-METHYL-2-PENTENAL |
Odor Description: | Poweful green gassy and diffusive odor, somewhat fruity |
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Cosmetic Information:
Suppliers:
Alfrebro |
2-METHYL-2-PENTENAL NATURAL
Odor: Fruity, Spicy, Powerfull, Grassy |
Augustus Oils |
2 Methyl 2 Pentenal
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Services |
Beijing Lys Chemicals |
2-Methyl-2-pentenal
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Best Value Chem |
2-Methyl-2 Pentenal
Odor: Sweet fruity green |
BOC Sciences |
For experimental / research use only. |
2-Methyl-2-pentenal
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Citrus and Allied Essences |
2-Methyl 2-Pentenal
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Market Report |
CJ Latta & Associates |
2-METHYL PENTENAL
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FCI SAS |
2-METHYL-2-PENTENAL
Odor: Poweful green gassy and diffusive odor, somewhat fruity |
Frutarom |
2-METHYL-2-PENTENAL
KOSHER Flavor: Green, Grassy, Aldehydic, Gassy |
CBD Offering |
IFF |
2-METHYL-2-PENTENAL
KOSHER Flavor: Green, Grassy, Aldehydic, Gassy |
Kingchem Laboratories |
2 METHYL 2 PENTENAL
Odor: Powerful green grassy and diffusive odor, slightly fruity |
Nagar Haveli Perfumes & Aromatics |
2-Methyl-2-pentenal
Odor: Pungent, fruity with a juicy ripe aldehydic nuance, powerful green grass somewhat fruity gassy |
Penta International |
2-METHYL-2-PENTENAL NATURAL
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Penta International |
2-METHYL-2-PENTENAL
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R C Treatt & Co Ltd |
2-Methyl-2-pentenal
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Reincke & Fichtner |
2-Methyl 2-pentenal
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Santa Cruz Biotechnology |
For experimental / research use only. |
2-Methyl-2-pentenal
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Sigma-Aldrich |
2-Methyl-2-pentenal, ≥97%, FG
Odor: green; fruity |
Certified Food Grade Products |
Synerzine |
2-METHYL-2-PENTENAL
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Taytonn ASCC |
2-Methyl-2-pentenal
Odor: Aldehydic/ Aldehyde, Grass, Green |
Tianjin Danjun International |
2-Methyl-2-pentenal
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WholeChem |
2-Methyl-2-pentenal
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Safety Information:
Preferred SDS: View |
European information : |
Most important hazard(s): | Xi - Irritant |
R 10 - Flammable. R 36/38 - Irritating to skin and eyes. R 41 - Risk of serious damage to eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection.
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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: |
oral-rat LD50 4290 mg/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
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Dermal Toxicity: |
skin-rabbit LD50 4500 uL/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
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Inhalation Toxicity: |
inhalation-rat LC50 2000 ppm/4H AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
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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 |
Recommendation for 2-methyl-2-pentenal usage levels up to: | | 0.2000 % in the fragrance concentrate.
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Maximised Survey-derived Daily Intakes (MSDI-EU): | 11.93 (μg/capita/day) |
Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.20 (μg/capita/day) |
Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1800 (μg/person/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: 4 |
Click here to view publication 4 |
| average usual ppm | average maximum ppm |
baked goods: | - | 80.00000 |
beverages(nonalcoholic): | - | 80.00000 |
beverages(alcoholic): | - | - |
breakfast cereal: | - | - |
cheese: | - | - |
chewing gum: | - | 80.00000 |
condiments / relishes: | - | - |
confectionery froastings: | - | - |
egg products: | - | - |
fats / oils: | - | - |
fish products: | - | - |
frozen dairy: | - | 80.00000 |
fruit ices: | - | 80.00000 |
gelatins / puddings: | - | 80.00000 |
granulated sugar: | - | - |
gravies: | - | - |
hard candy: | - | 80.00000 |
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: | - | 80.00000 |
soups: | - | - |
sugar substitutes: | - | - |
sweet sauces: | - | - |
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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): | 3.33000 | 6.00000 |
Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 3.00000 | 5.00000 |
Edible ices, including sherbet and sorbet (03.0): | - | - |
Processed fruit (04.1): | 3.00000 | 5.00000 |
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 3.00000 | 5.00000 |
Confectionery (05.0): | 5.00000 | 9.00000 |
Chewing gum (05.0): | - | - |
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 3.00000 | 5.00000 |
Bakery wares (07.0): | 6.50000 | 15.33000 |
Meat and meat products, including poultry and game (08.0): | 7.00000 | 10.00000 |
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 3.00000 | 5.00000 |
Eggs and egg products (10.0): | 3.00000 | 5.00000 |
Sweeteners, including honey (11.0): | 3.00000 | 5.00000 |
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 1.00000 | 2.00000 |
Foodstuffs intended for particular nutritional uses (13.0): | - | - |
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 4.00000 |
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | 2.00000 |
Ready-to-eat savouries (15.0): | 1.00000 | 2.00000 |
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 3.00000 | 5.00000 |
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): |
List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf |
Flavouring Group Evaluation 201: 2-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.2 of FGE.19[1] 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 |
Scientific Opinion on Flavouring Group Evaluation 201 Revision 1 (FGE.201Rev1): 2-Alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19. View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 201 Revision 2 (FGE.201Rev2): 2-alkylated, aliphatic, acyclic alpha,beta-unsaturated aldehydes and precursors, with or without additional double-bonds, from chemical subgroup 1.1.2 of FGE.19 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 72, Revision 2 (FGE.72Rev2): consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (61st, 68th and 69th meetings) and structurally related to flavouring substances in FGE.05Rev3 View page or View pdf |
EPI System: | View |
AIDS Citations: | Search |
Cancer Citations: | Search |
Toxicology Citations: | Search |
EPA Substance Registry Services (TSCA): | 623-36-9 |
EPA ACToR: | Toxicology Data |
EPA Substance Registry Services (SRS): | Registry |
Laboratory Chemical Safety Summary : | 12177 |
National Institute of Allergy and Infectious Diseases: | Data |
WISER: | UN 1989 |
WGK Germany: | 1 |
| 2-methylpent-2-enal |
Chemidplus: | 0000623369 |
RTECS: | SB2100000 for cas# 623-36-9 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
2,4- | dimethyl crotonaldehyde | beta- | ethyl-alpha-methyl acrolein | 2 | methyl 2 pentenal | 2- | methyl 2-pentenal | 2- | methyl pent-2-enal | 2- | methyl-2-penten-1-al | 2- | methyl-2-pentenal natural | 2- | methyl-3-ethyl acrolein | alpha- | methyl-beta-ethyl acrolein | 2- | methyl-pentenal | 2- | methylpent-2-enal | | pent-2-enal, 2-methyl- | 2- | pentenal, 2-methyl- |
Articles:
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