Basic information
- CAS
143-13-5- Standard SMILES
CCCCCCCCCOC(C)=O- InChIKey
GJQIMXVRFNLMTB-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Overview
Nonyl acetate is a colorless liquid with a pungent odor of mushrooms. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
Names & identifiers
- Preferred name
- Nonyl Acetate
- IUPAC
- nonyl acetate
- English name
- Nonyl acetate
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29
Names & synonyms
NONYL ACETATEAcetic acid, nonyl esterAcetic Acid Nonyl EsterNONYLACETATEDTXSID4047123EINECS 205-585-8UNII-M2SE618B1LNSC 82356M2SE618B1LAI3-11583NSC-82356NONYL ACETATE [FCC]
Show more names
NonylacetatACETATE C-91-nonylacetatenonanolacetateNonylethanoate1-acetoxynonaneNonanol acetateNONANYL ACETATE
NONYL ACETATE [FHFI]DTXCID2027123CHEBI:87511FEMA 2788Nonyl acetic acidAcetate nonyl esterRefChem:166494NONYL ACETATE [INCI]
Database identifiers
- CAS
143-13-5- PubChem CID
- 8918
- DTXSID
DTXSID4047123- ChEMBL
CHEMBL2228457- ChEBI
CHEBI:87511- UNII
- M2SE618B1L
- EC Number
- 205-585-8
- Nikkaji
- J10.621F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Cosmetics
Cosmetic ingredients (Nonyl Acetate) -> CIR (Cosmetic Ingredient Review)
Emollient
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Nonyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.8785 at 59 °F (USCG, 1999) - Less dense than water; will float
0.864-0.868
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol, ether; insoluble in water
1 ml in 6 ml 70% alcohol (in ethanol)
Boiling Point
406.4 to 413.6 °F at 760 mmHg (USCG, 1999)
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 16.9% (263 of 1555) of reports.
H411 (83.1%): 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 1555 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Acetic acid, nonyl ester
REACH registered substance: Nonyl acetate (EC: 205-585-8)
Acetic acid, nonyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Fire HazardsSpecial Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. (USCG, 1999)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
NONYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire (USCG, 1999).
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
UsesCIR ingredient: Nonyl Acetate
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Emollient
General Manufacturing InformationAcetic acid, nonyl ester: ACTIVE
Applications
DescriptionNonyl acetate has a floral, fruity (mushroom-gardenia) odor and a corresponding flavor on dilution. It has a bitter taste when concentrated. It is prepared by direct esterification of n-nonyl alcohol with acetic acid.
OccurrenceReported found in apple, citrus peel oils and juices, grapes, melon, Gruyere cheese, milk, beer and pepino fruit (Solanum muricatum).
UsesNonyl acetate finds some use in flavor compositions for imitation Apricot, Peach, Lemon and other Citrus types, fruit complexes, etc. Its sweet-fruity taste is accompanied by a "peel"-like freshness, and the material is quite powerful. Concentrations vary from 1 to 3 ppm in the finished product.
General DescriptionNonyl acetate is a colorless liquid with a pungent odor of mushrooms. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
Preparation methods
PreparationBy direct esterification of n-nonyl alcohol with acetic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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