| Fragrance Demo Formulas |
4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde (Click)
IUPAC Name: 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
Std.InChI: InChI=1S/C13H20O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,10,13H,3,5,7-9H2,1-2H3
InChI: InChI=1/C13H20O/c1-11(2)4-3-5-12-6-8-13(10-14)9-7-12/h4,6,10,13H,3,5,7-9H2,1-2H3
Std.InChIKey: MQBIZQLCHSZBOI-UHFFFAOYSA-N
InChIKey: MQBIZQLCHSZBOI-UHFFFAOYAN
SMILES: CC(=CCCC1=CCC(CC1)C=O)C
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| CAS Number: | 37677-14-8 |
| 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 |
| Also(can) Contains: | 1-formyl-3-isohexenyl-3-cyclohexene |
| Category: | fragrance agents |
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| 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 |
| IBM Patents: | Obtain |
| Pubchem Patents: | Search |
Physical Properties:
| Appearance: | pale yellow to yellow clear oily liquid (est) |
| Assay: | 96.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.92600 to 0.93400 @ 25.00 °C.
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| Pounds per Gallon - (est).: | 7.705 to 7.772
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| Specific Gravity: | 0.92700 to 0.93500 @ 20.00 °C.
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| Pounds per Gallon - est.: | 7.723 to 7.789
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| Refractive Index: | 1.48800 to 1.49200 @ 20.00 °C.
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| Boiling Point: | 228.00 °C. @ 760.00 mm Hg
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| Acid Value: | 5.00 max. KOH/g
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| Vapor Pressure: | 0.006000 mm/Hg @ 25.00 °C. (est) |
| Flash Point: | 200.00 °F. TCC ( 93.33 °C. )
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| 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. |
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) |
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Cosmetic Information:
Suppliers:
| A.C.S. International |
| Citrovertal
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| Apple Flavor & Fragrance |
| Myrac aldehyde
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| Augustus Oils |
| Myrac Aldehyde
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| Azelis |
| MYRAC ALDEHYDE
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| CG Herbals |
| Empetal
Odor: Powerful, fresh aldehydic with the hint of citrus, fruits and marine Use: Used in nearly all types of products at upto 5%. Typically found at 1% in air freshners and 3% in toilet soaps or detergents. Also used as a 10% dilution at levels up to 5% to give a citrusy freshness. |
| CG Herbals |
| Myrac Aldehyde
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| CG Herbals |
| Myraldene
Odor: Aldehydic, Fresh, Citrus, Marine Use: Myraldene is a powerful, fresh Aldehydic ingredient with the hint of citrus, green and marine. |
| Creatingperfume.com |
| MYRAC ALDEHYDE
Odor: Citrus, Aldehydic, Floral, Ozone, Fresh Air,Marine |
| Ernesto Ventós |
| MYRAC ALDEHYDE PCAS
Odor: CITRUS, ALDEHYDIC, FLORAL, OZONE |
| Ernesto Ventós |
| MYRAC ALDEHYDE
Odor: CITRUS, ALDEHYDIC, FLORAL, OZONE |
| Givaudan |
| Empetal
Odor: Fresh, Aldehydic, Citrus, Marine. Use: Empetal is a powerful, fresh aldehydic ingredient with the hint of citrus, green and marine. |
| IFF |
| MYRAC ALDEHYDE
Odor: An aldehydic with orange, ozonic and fruity characteristics. Strong and persistent. Clean outdoors effect |
| Indukern F&F |
| MYRAC ALDEHYDE
Odor: ALDEHYDIC, CITRUS, FATTY, FLORAL |
| Lansdowne Chemicals |
| Myrac Aldehyde
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| Lluch Essence |
| MIRAC ALDEHYDE
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| O'Laughlin Industries |
| MYROLDAL
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| PCAS |
| Muguet Aldehyde
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| PCW France |
| Myraldehyde
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| Penta International |
| MYRALDENE
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| PerfumersWorld |
| Myrac aldehyde
Odor: aldehyde orange fruity character clean ozone Use: Blends-well-with - +Narcotic-florals |
| Taytonn |
| Myrac Aldehyde
Odor: Aldehydic/ Aldehyde, Citrus, Fresh, Fruity, Ozone/Ozonic |
| The John D. Walsh Company |
| Empetaal
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| The John D. Walsh Company |
| Myrac Aldehyde
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| The Lermond Company |
| Myrac Aldehyde
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| The Perfumers Apprentice |
| Myrac Aldehyde (I)
Odor: Citrus, Aldehydic, Floral, Ozone (Fresh Air/Marine) |
| Treatt |
| Myrac Aldehyde
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| Xiamen Doingcom Chemical |
| Myrac Aldehyde
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| For experimental / research use only. |
Safety Information:
| European 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.
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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) |
Chronic aquatic toxicity (Category 2), H411
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| GHS Label elements, including precautionary statements |
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| Pictogram |  |
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| Hazard statement(s) |
H411 - Toxic to aquatic life with long lasting effects
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| Precautionary statement(s) |
P273 - Avoid release to the environment. P391 - Collect spillage. Hazardous to the aquatic environment P501 - Dispose of contents/container in accordance with local/regional/national/international regulations.
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| 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
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| 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
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| Inhalation Toxicity: |
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Not determined
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Safety in Use Information:
| Category: | fragrance agents |
| Recommendation for citrus carbaldehyde usage levels up to: | | | 10.0000 % in the fragrance concentrate.
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| Recommendation for citrus carbaldehyde flavor usage levels up to: |
| | not for flavor use.
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Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Natural Occurrence in: note
Synonyms:
| | citrovertal | | | citrus carbaldehyde | | 3- | cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)- | | 3- | cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-pentenyl)- | | | empetaal | | | empetal | | 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 | | p- | myrac aldehyde | | para- | myrac aldehyde | | | myracal | | | myraldeine | | | myraldene | | | myrcenal | | | myroldal | | | synflor | | | towanal | | | vertomugal |
Articles:
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| 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 |
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