Articles:
| US Patents: | 6,118,027 - Preparation of unsaturated aldehydes from propargyl alcohol and conjugated diolefins |
Notes:
None found
| Fragrance Demo Formulas | ||
| Name: | 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde | |
| CAS Number: | 37677-14-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 253-617-4 | |
| Nikkaji Web: | J70.180G | |
| XlogP3-AA: | 3.00 (est) | |
| Molecular Weight: | 192.30160000 | |
| Formula: | C13 H20 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | 1-formyl-3-isohexenyl-3-cyclohexene | |
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 |
Physical Properties:
| Appearance: | pale yellow to yellow clear oily liquid (est) |
| Assay: | 96.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.92600 to 0.93400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.705 to 7.772 |
| Specific Gravity: | 0.92700 to 0.93500 @ 20.00 °C. |
| Pounds per Gallon - est.: | 7.723 to 7.789 |
| Refractive Index: | 1.48800 to 1.49200 @ 20.00 °C. |
| Boiling Point: | 228.00 °C. @ 760.00 mm Hg |
| Acid Value: | 5.00 max. KOH/g |
| Vapor Pressure: | 0.006000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 200.00 °F. TCC ( 93.33 °C. ) |
| logP (o/w): | 4.700 |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| paraffin oil | |
| water, 4.348 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Stability: | |
| alcoholic lotion | |
| antiperspirant | |
| deo stick | |
| detergent perborate | |
| fabric softener | |
| liquid detergent | |
| shampoo | |
| soap | |
Organoleptic Properties:
| Odor Type: | aldehydic |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| Odor Description: at 10.00 % in dipropylene glycol. | citrus greasy aldehydic floral marine Luebke, William tgsc, (1991) |
| Odor sample from: | International Flavors & Fragrances Inc. |
| Substantivity: | 244 Hour(s) |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
Safety Information:
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 7500 ul/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" National Technical Information Service. Vol. OTS0535072 | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 8 ml/kg GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" National Technical Information Service. Vol. OTS0535072 | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | fragrance agents | ||
| Recommendation for citrus carbaldehyde usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Recommendation for citrus carbaldehyde flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 37677-14-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 93199 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde | |
| Chemidplus: | 0037677148 |
References:
| 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 37677-14-8 |
| Pubchem (cid): | 93199 |
| Pubchem (sid): | 135052006 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB008400 |
| Export Tariff Code: | 2912.29.0000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| citrovertal (A.C.S. International) | |
| citrus carbaldehyde | |
| 3- | cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)- |
| 3- | cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-pentenyl)- |
| empetaal (Givaudan) | |
| empetal (Givaudan) | |
| 1- | formyl-4-isohexenyl-4-cyclohexene |
| iso | hexenyl cyclopentenyl carbaldehyde |
| iso | hexenyl tetraydrobenzaldehyde |
| iso | hexenylcyclopentenylcarbaldehyde |
| 4-(4- | methyl pent-3-enyl) cyclohex-3-ene-1-carbaldehyde |
| 4-(4- | methyl-3-penten-1-yl) cyclohex-3-ene-1-carbaldehyde |
| 4-(4- | methyl-3-penten-1-yl)-3-cyclohexen-1-carboxaldehyde |
| 4-(4- | methyl-3-penten-1-yl)-3-cyclohexene carboxaldehyde |
| 4-(4- | methyl-3-penten-1-yl)-3-cyclohexene-1-carboxaldehyde |
| 4-(4- | methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde |
| 4-(4- | methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde |
| 4-(4- | methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde |
| 4-(4- | methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde |
| myrac aldehyde (IFF) | |
| p- | myrac aldehyde |
| para- | myrac aldehyde |
| myracal | |
| myraldeine | |
| myraldene | |
| myrcenal | |
| myroldal | |
| synflor | |
| towanal | |
| vertomugal |