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p-isopropylphenylacetaldehyde
Notes:
Used in perfumery and food flavouring
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 4395-92-0 (4-isopropylphenyl)acetaldehyde
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W0936 P-ISOPROPYL PHENYLACETALDEHYDE
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| CAS Number: | 4395-92-0 |  3D/inchi
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| ECHA EINECS - REACH Pre-Reg: | 224-522-5 | |
| FDA UNII: | 5KQW56W3YJ | |
| Nikkaji Web: | J14.563G | |
| Beilstein Number: | 2246668 | |
| MDL: | MFCD00217008 | |
| CoE Number: | 132 | |
| XlogP3-AA: | 2.40 (est) | |
| Molecular Weight: | 162.23178000 | |
| Formula: | C11 H14 O | |
| 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 |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1024 p-isopropylphenylacetaldehyde |
| DG SANTE Food Flavourings: | 05.044 p-isopropyl phenylacetaldehyde |
| FEMA Number: | 2954 p-isopropylphenylacetaldehyde |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 4395-92-0 ; P-ISOPROPYLPHENYLACETALDEHYDE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless clear oily liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99500 @ 25.00 °C. |
| Refractive Index: | 1.52000 @ 20.00 °C. |
| Boiling Point: | 230.00 to 243.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.020000 mmHg @ 20.00 °C. |
| Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w): | 3.054 (est) |
| Soluble in: | |
| alcohol | |
| water, very slightly | |
| water, 184 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Stability: | |
| alkalis | |
| Similar Items: note | |
| para-anisyl acetaldehyde | |
| cuminyl acetaldehyde | |
| lilac acetaldehyde | |
| mercaptoacetaldehyde | |
| phenoxyacetaldehyde 50% in benzyl alcohol | |
| phenoxyacetaldehyde 50% in peomosa | |
| phenyl acetaldehyde | |
| pinoacetaldehyde | |
Organoleptic Properties:
| Odor Type: green | |
| Odor Strength: | high , recommend smelling in a 10.00 % solution or less |
| Substantivity: | 256 hour(s) at 100.00 % |
| earthy aldehydic cumin green cortex foliage | |
| Odor Description: at 10.00 % in dipropylene glycol. | earthy fern aldehydic cumin green cortex Luebke, William tgsc, (1984) |
| Flavor Type: green | |
| green foliage privet cortex aldehydic cumin earthy weedy | |
| Taste Description: | green foliage privet cortex aldehydic cumin earthy weedy Luebke, William tgsc, (1984) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| (4-isopropylphenyl)acetaldehyde |
| Matrix Scientific |
| For experimental / research use only. |
| (4-isoPropylphenyl)acetaldehyde, 95% |
| Synerzine |
| P-ISOPROPYL PHENYLACETALDEHYDE |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 4100 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 533, 1979. | |
| Dermal Toxicity: | |
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skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 533, 1979. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for cumin acetaldehyde usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.061 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (μg/capita/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: | - | - | |
| beverages(nonalcoholic): | - | 0.10000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.50000 | |
| fruit ices: | - | 0.50000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.50000 | |
| 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 phenethyl alcohol, aldehydes, acids, and related acetals and 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 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - 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 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - 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 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 4395-92-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61359 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 2-(4-propan-2-ylphenyl)acetaldehyde | |
| Chemidplus: | 0004395920 |
References:
| 2-(4-propan-2-ylphenyl)acetaldehyde | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 4395-92-0 |
| Pubchem (cid): | 61359 |
| Pubchem (sid): | 135018181 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB41493 |
| FooDB: | FDB021463 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| arrack | FL | |
| bark | FR | |
| cortex | FR | |
| cucumber | FR | |
| earth | FR | |
| fern | FR | |
| foliage | FR | |
| green | FR | |
| green grass | FR | |
| leaf | ||
| lemon | FR | |
| lettuce | FL | |
| melon | FR | |
| orange | FR | |
| privet | FR | |
| stem | ||
| woodruff | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| acetaldehyde, (p-isopropylphenyl)- | |
| benzeneacetaldehyde, 4-(1-methylethyl)- | |
| cortexal | |
| cumin acetaldehyde | |
| homo | cumin aldehyde |
| cuminacetaldehyde | |
| cuminic acetaldehyde | |
| cumyl acetaldehyde | |
| cumylacetaldehyde | |
| p- | cymen-7-carboxaldehyde |
| p- | cymene-7-carboxaldehyde |
| para- | cymene-7-carboxaldehyde |
| 4-(1- | methyl ethyl) benzene acetaldehyde |
| 4-(1- | methylethyl) benzeneacetaldehyde |
| 4-(1- | methylethyl)benzeneacetaldehyde |
| 2-[4-( | methylethyl)phenyl]ethanal |
| 2-(4- | propan-2-ylphenyl)acetaldehyde |
| 4-iso | propyl phenyl acetaldehyde |
| para-iso | propyl phenyl acetaldehyde |
| 4-iso | propyl phenylacetaldehyde |
| p-iso | propyl phenylacetaldehyde |
| para-iso | propyl phenylacetaldehyde |
| (4-iso | propylphenyl)acetaldehyde |
| 4-iso | propylphenylacetaldehyde |
| p-iso | propylphenylacetaldehyde |
| iso | propylphenylacetaldehyde, p- |