3,7-Dimethyl-2,6-nonadienenitrile
Completing data — refresh the page later to see the latest
Basic information
- CAS
61792-11-8- Standard SMILES
CCC(C)=CCCC(C)=CC#N- InChIKey
DHJVLXVXNFUSMU-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609954
Names & identifiers
- Preferred name
- 3,7-Dimethyl-2,6-nonadienenitrile
- IUPAC
- 3,7-dimethylnona-2,6-dienenitrile
- English name
- 3,7-Dimethyl-2,6-nonadienenitrile
- Molecular formula
- C11H17N
- Molecular weight
- 163.26
Names & synonyms
3,7-Dimethylnona-2,6-dienenitrileLemonile3,7-Dimethyl-2,6-nonadienenitrile2,6-Nonadienenitrile, 3,7-dimethyl-EINECS 263-214-5UNII-B8MK5EZU56B8MK5EZU56DTXSID1052296EC 263-214-5RefChem:91882DTXCID103086861792-11-8
Show more names
LemonilLemonile 65702033,7-Dimethyl-2,6-non3,7-dimethyl-6-nonadienenitrile3,7-Dimethylnona-2,6-diennitril6-Nonadienenitrile,3,7-dimethyl-2
HOMOGERANYL NITRILESCHEMBL2339773,7-dimethyl-2,6-nonadien-1-nitrileDB-073012
Database identifiers
- CAS
61792-11-8- PubChem CID
- 112446
- DTXSID
DTXSID1052296- EC Number
- 263-214-5
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
FragrancesFragrance Ingredient (3,7-Dimethyl-2,6-nonadienenitrile) -> IFRA transparency List
Physical DescriptionCBI; Liquid
Physicochemical properties
- Boiling point
- 280.37 °C · 280.37°C (rough estimate)
- Density
- 0.8882 · 0.8882 (rough estimate)
- vapor pressure
- 1.7 Pa · 1.7Pa at 20℃
- refractive index
- 1.46 · 1.4600 (estimate)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. lemon cologne metallic
- Odor Type
- citrus
- Viscosity
- 3.2 mm2/s · 3.2mm2/s
- Water Solubility
- 42 mg/L · 42mg/L at 20℃
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.2 at · 3.2 at 35℃
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 11.3% (210 of 1853) of reports.
H411 (88.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1853 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2,6-Nonadienenitrile, 3,7-dimethyl-
2,6-Nonadienenitrile, 3,7-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,6-Nonadienenitrile, 3,7-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 18-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11681
2,6-Nonadienenitrile, 3,7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 2 (88.7%)
Safety data
- tsca
- TSCA listed
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 400,000 - <550,000 lb
Consumer UsesOther
Industry UsesOther
Household ProductsInformation on 43 consumer products that contain 3,7-Dimethyl-2,6-nonadienenitrile in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
2,6-Nonadienenitrile, 3,7-dimethyl-: ACTIVE
Applications
Uses3,7-Dimethyl-2,6-nonadienenitrile compound in perfume for cosmetics and household products.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…