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: |
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US Patents: | Search |
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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: |
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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