Fragrance Demo Formulas |
3,7-dimethyloct-6-enenitrile (Click)
IUPAC Name: 3,7-dimethyloct-6-enenitrile
Std.InChI: InChI=1S/C10H17N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-7H2,1-3H3
InChI: InChI=1/C10H17N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-7H2,1-3H3
Std.InChIKey: MTDAKBBUYMYKAR-UHFFFAOYSA-N
InChIKey: MTDAKBBUYMYKAR-UHFFFAOYAK
SMILES: CC(CCC=C(C)C)CC#N
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CAS Number: | 51566-62-2 |
ECHA EINECS - REACH Pre-Reg: | 257-288-8 |
XlogP3-AA: | 3.20 (est) |
Molecular Weight: | 151.25249000 |
Formula: | C10 H17 N |
NMR Predictor: | Predict |
Category: | fragrance agents |
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US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: |
Google Scholar: | Search |
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US Patents: | Search |
EU Patents: | Search |
IBM Patents: | Obtain |
Pubchem Patents: | Search |
PubMed: | Search |
NCBI: | Search |
Physical Properties:
Appearance: | colorless to pale yellow clear liquid (est) |
Assay: | 92.00 to 100.00 %
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.83500 to 0.85500 @ 25.00 °C.
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Pounds per Gallon - (est).: | 6.948 to 7.114
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Refractive Index: | 1.44000 to 1.46000 @ 20.00 °C.
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Boiling Point: | 110.00 to 111.00 °C. @ 760.00 mm Hg
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Vapor Pressure: | 0.100000 mm/Hg @ 20.00 °C. |
Vapor Density: | 6.0 ( Air = 1 ) |
Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. )
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logP (o/w): | 3.130 |
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. |
Organoleptic Properties:
Odor Type: | citrus |
Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
Odor Description: at 10.00 % in dipropylene glycol. | fresh lemon metallic citrus waxy floral Luebke, William tgsc, (1987) |
Odor sample from: | Takasago International Corp |
Substantivity: | 16 hour(s) at 100.00 % |
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Cosmetic Information:
Suppliers:
Augustus Oils |
Citronellyl Nitrile
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BASF |
Citronellylnitrile
≥ 98% (CGC),sum of 6- and 7 -isomers Odor: Citrus, green, fruity, floral Use: It shows a very intensive odor reminiscent of citrus when
diluted. It is an excellent substitute for Citronellal as an
citric fragrance component for alkaline product bases. |
Berjé |
Citronellyl Nitrile
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CG Herbals |
Citronellyl Nitrile
Odor: Citrus lemon, with the suggestion of green, aldehydic floral Use: Good chemical stability leads to use in a wide range of applications. Normally 2 or 3% dosage is used but higher levels are possible in overtly citrus fragrances. |
Creatingperfume.com |
Citronellyl Nitrile
Odor: Citrus, green, fruity, floral. Citrus, green, fruity, floral |
ECSA Chemicals |
Citronellyl Nitrile
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Company Profile |
Ernesto Ventós |
CITRONELLYL NITRILE
Odor: FRESH, CITRIC, FLORAL |
Global Essence |
Citronellyl Nitrile
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Indukern F&F |
CITRONELLYL NITRILE
Odor: CITRUS, GREEN, FLORAL, FRUITY |
Lansdowne Chemicals |
Citronellyl Nitrile
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Lluch Essence |
CITRONELYL NITRILE 95%
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M&U International |
CITRONELLYL NITRILE
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Moellhausen |
CITRONELLYL NITRILE
Artificial Odor: fresh, citrusy, herbal notes |
PCW France |
Citronellyl Nitrile
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Penta International |
CITRONELLYL NITRILE
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PerfumersWorld |
Citronellyl Nitrile
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Phoenix Aromas & Essential Oils |
Citronellyl Nitrile
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Privi Organics |
Citronellyl Nitrile
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Reincke & Fichtner |
Citronellyl Nitrile
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SRS Aromatics |
CITRONELLYL NITRILE
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Takasago |
Citronellyl Nitrile
≥95% as Citronellyl nitrile Odor: Green note Use: Widely used in perfumery compositions due to its good chemical stability and tenacity. |
The Fragrance Museum |
Takasago |
l-Citronellyl Nitrile
≥98.5% as Citronellyl nitrile Odor: Fresh, citrusy, floral and green nuance Use: Widely used in perfumery compositions due to its good chemical stability and tenacity. |
Taytonn |
Citronalva
Odor: Aldehydic/ Aldehyde, Citrus, Floral |
The Good Scents Company |
citronellyl nitrile
Odor: fresh lemon metallic citrus waxy floral |
The John D. Walsh Company |
Citronellyl Nitrile
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The Lermond Company |
Citronellyl Nitrile
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Treatt |
Citronellyl Nitrile
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Vigon International |
Citronellyl Nitrile
Odor: Citrus, green, fruity, floral |
Safety Information:
European information : |
Most important hazard(s): | Xi - Irritant |
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. 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) |
Acute toxicity, Oral (Category 4), H302 Acute toxicity, inhalation (Category 3), H331 Chronic aquatic toxicity (Category 3), H412
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GHS Label elements, including precautionary statements |
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Pictogram | |
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Signal word | Danger |
Hazard statement(s) |
H302 - Harmful if swallowed H331 - Toxic if inhaled H412 - Harmful to aquatic life with long lasting effects
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Precautionary statement(s) |
P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P271 - Use only outdoors or in a well-ventilated area. P273 - Avoid release to the environment. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P311 - Call a POISON CENTER or doctor/physician. P330 - Rinse mouth. P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P405 - Store locked up. P501 - Dispose of contents/container in accordance with local/regional/national/international regulations.
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Oral/Parenteral Toxicity: |
oral-rat LD50 5300 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 525, 1979.
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Dermal Toxicity: |
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 525, 1979.
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Inhalation Toxicity: |
Not determined
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Safety in Use Information:
Category: | fragrance agents |
Recommendation for citronellyl nitrile usage levels up to: | | 10.0000 % in the fragrance concentrate.
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Recommendation for citronellyl nitrile 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:
| agrunitrile | | baranyl nitrile | | citronalva | | citronellonitrile | | citronellylnitrile | | citrylone | 3,7- | dimethyl oct-6-ene nitrile | 3,7- | dimethyl-6-octene nitrile | 3,7- | dimethyl-6-octene-1-nitrile | 3,7- | dimethyloct-6-ene nitrile | 3,7- | dimethyloct-6-enenitrile | 6- | octenenitrile, 3,7-dimethyl- | | vervonitrile |
Articles:
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Soluble in: |
| alcohol | | paraffin oil | | water, 37.76 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Stability: |
| alcoholic fine fragrance, good | | alkalis | | antiperspirant, good | | deo stick, good | | detergent perborate, good | | fabric softener, good | | hard surface cleaner | | liquid detergent, good | | shampoo, good | | soap, good | | toiletry application, good |
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