Articles:
| None found yet. Try the PubMed Search. |
Notes:
jasmin accord - cyclamen aldehyde and benzyl alcohol.
rain accord - cyclamen aldehyde and hexyl cinnamaldehyde.
Used as a food additive [EAFUS]
| Fragrance Demo Formulas | ||
| Name: | 2-methyl-3-(4-propan-2-ylphenyl)propanal | |
| CAS Number: | 103-95-7 |  3D/inchi
|
| Other: | 80949-77-5 | |
| ECHA EINECS - REACH Pre-Reg: | 203-161-7 | |
| FDA UNII: | 4U37UX0E1E | |
| Nikkaji Web: | J4.429F | |
| Beilstein Number: | 2047689 | |
| MDL: | MFCD00024160 | |
| FEMA Number: | 2743 | |
| CoE Number: | 133 | |
| XlogP3-AA: | 3.30 (est) | |
| Molecular Weight: | 190.28566000 | |
| Formula: | C13 H18 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | At least 90%; secondary component 5% 3-(p-cumenyl)-2-methylpropionic acid. (EFSA) | |
Category: 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: | 1465 2-methyl-3-(p-isopropylphenyl)propionaldehyde |
| Flavis Number: | 05.045 (Old) |
| DG SANTE Food Flavourings: | 05.045 3-(p-cumenyl)-2-methylpropionaldehyde |
| FEMA Number: | 2743 cyclamen aldehyde |
| FDA Mainterm: | 2-METHYL-3-(P-ISOPROPYLPHENYL) PROPIONALDEHYDE |
| 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 to pale yellow clear liquid (est) |
| Assay: | 94.00 to 100.00 % |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 0.94500 to 0.95500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.863 to 7.947 |
| Refractive Index: | 1.50200 to 1.51200 @ 20.00 °C. |
| Boiling Point: | 270.00 °C. @ 760.00 mm Hg |
| Acid Value: | 5.00 max. KOH/g |
| Vapor Pressure: | 0.009000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 228.00 °F. TCC ( 109.00 °C. ) |
| logP (o/w): | 3.430 (est) |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| dipropylene glycol | |
| fixed oils | |
| paraffin oil | |
| water, 22.59 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| propylene glycol | |
| glycerin | |
| Stability: | |
| bath foam | |
| hair spray | |
| non-discoloring in most media | |
| soap | |
Organoleptic Properties:
| Odor Type: | floral |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | floral cyclamen fresh rhubarb musty green |
| Substantivity: | 72 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
masking agents |
Safety Information:
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
|
R 38 - Irritating to skin. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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 - Wear suitable protective clothing. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Human Experience: | 3 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 3810 mg/kg BEHAVIORAL: ATAXIA BEHAVIORAL: COMA SKIN AND APPENDAGES (SKIN): HAIR: OTHER Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER National Technical Information Service. Vol. OTS0535055 | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | fragrance agents | ||
| IFRA Purity Specification: | < 1.5% free cyclamen alcohol | ||
| IFRA: | View Standard | ||
| Recommendation for cyclamen aldehyde usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 18.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 343.00 (μg/capita/day) | ||
| 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: | - | 1.20000 | |
| beverages(nonalcoholic): | - | 0.30000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.45000 | |
| fruit ices: | - | 0.45000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.99000 | |
| 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:
| 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): | |
| Flavouring Group Evaluation 55 (FGE.55): Consideration of phenyl-substituted aliphatic alcohols and related aldehydes and esters evaluated by JECFA (63rd meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives evaluated by EFSA in FGE.15 (2005) (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 | |
| Safety and efficacy of aryl-substituted primary alcohol, aldehyde, acid, ester and acetal derivatives belonging to chemical group 22 when used as flavourings for all animal species View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 103-95-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7687 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 2-methyl-3-(4-propan-2-ylphenyl)propanal | |
| Chemidplus: | 0000103957 |
| RTECS: | MW4900000 for cas# 103-95-7 |
References:
| Leffingwell: | Chirality or Article |
| 2-methyl-3-(4-propan-2-ylphenyl)propanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 103-95-7 |
| Pubchem (cid): | 7687 |
| Pubchem (sid): | 134972568 |
| Pherobase: | View |
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 |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB37763 |
| FooDB: | FDB019240 |
| Export Tariff Code: | 2912.19.5000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| acacia | FR | |
| aimant | ||
| aldehydic | FR | |
| alpine bouquet | FR | |
| amber | FR | |
| angel essence | FR | |
| apple | FR | |
| apple blossom | FR | |
| apple green apple | FR | |
| cedar | FR | |
| cherry | FR | |
| cherry blossom | FR | |
| citrus | FR | |
| clean linen | FR | |
| clover | FR | |
| coconut tropical coconut | FR | |
| cortex | FR | |
| crabapple blossom | FR | |
| cucumber | FR | |
| cyclamen | FR | |
| diorissimo | ||
| earth | FR | |
| fish | FL | |
| floral | FR | |
| florida breeze | FR | |
| freesia | FR | |
| ginger white ginger | FR | |
| grapefruit | FR | |
| green leaf | FR | |
| greenhouse | FR | |
| heather | FR | |
| heliotrope | FR | |
| herbal | FR | |
| hyacinth | FR | |
| hydrangea | FR | |
| jasmin | FR | |
| jonquil | FR | |
| joy | ||
| kiwi | FR | |
| lilac | FR | |
| lily | FR | |
| lily of the valley | FR | |
| lime | FR | |
| lux beauty shower soap | ||
| melon | FR | |
| mint | FR | |
| nutmeg | FR | |
| ocean sea | FR | |
| sea breeze | FR | |
| orchid | FR | |
| orris | FR | |
| potpourri | FR | |
| powder | FR | |
| rain | FR | |
| rhubarb | FR | |
| rose | FR | |
| rose white rose | FR | |
| sea breeze | FR | |
| spring rain | FR | |
| strawberry | FR | |
| sweet grass | FR | |
| tropical | FL | |
| violet | FR | |
| vol de nuit | ||
| watery | ||
| woody | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| benzenepropanal, a-methyl-4-(1-methylethyl)- | |
| 3-p- | cumenyl-2-methyl propionaldehyde |
| 3-para- | cumenyl-2-methyl propionaldehyde |
| 3-p- | cumenyl-2-methylpropionaldehyde |
| 3-para- | cumenyl-2-methylpropionaldehyde |
| 3-(p- | cumenyl)-2-methylpropionaldehyde |
| cyclamen aldehyde extra | |
| cyclamen aldehyde FCC | |
| cyclemen aldehyde | |
| 2- | methyl-3-(4-propan-2-ylphenyl)propanal |
| 2- | methyl-3-(p-isopropyl phenyl) propionaldehyde |
| 2- | methyl-3-(p-isopropylphenyl)propionaldehyde |
| 2- | methyl-3-(para-isopropyl phenyl) propionaldehyde |
| 2- | methyl-3-(para-isopropylphenyl)propionaldehyde |
| 2- | methyl-3-[4-(propan-2-yl)phenyl]propanal |
| alpha- | methyl-4-(1-methyl ethyl) benzene propanal |
| a- | methyl-4-(1-methylethyl)benzenepropanal |
| alpha- | methyl-4-(1-methylethyl)benzenepropanal |
| alpha- | methyl-p-isopropyl hydrocinnamaldehyde |
| alpha- | methyl-p-isopropylhydrocinnamaldehyde |
| alpha- | methyl-p-isopropylphenylpropyl aldehyde |
| alpha- | methyl-para-isopropyl hydrocinnamaldehyde |
| alpha- | methyl-para-isopropyl phenyl propyl aldehyde |
| 3-(4- | propan-2-ylphenyl)butanal |
| iso | propyl methyl hydrocinnamaldehyde |
| 3-(4-iso | propyl phenyl)-2-methyl propanal |
| 4-iso | propyl-a-methylhydrocinnamaldehyde |
| para-iso | propyl-alpha-methyl hydrocinnamaldehyde |
| 4-iso | propyl-alpha-methyl hydrocinnamic aldehyde |
| p-iso | propyl-alpha-methyl hydrocinnamic aldehyde |
| para-iso | propyl-alpha-methyl hydrocinnamic aldehyde |
| p-iso | propyl-alpha-methylhydrocinnamaldehyde |
| 3-(4-iso | propylphenyl)-2-methylpropanal |
| 3-(4-iso | propylphenyl)-2-methylpropionaldehyde |
| 3-(p-iso | propylphenyl)-2-methylpropionaldehyde |