Basic information
- CAS
628-99-9- Standard SMILES
CCCCCCCC(C)O- InChIKey
NGDNVOAEIVQRFH-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Overview
Nonan-2-ol is a secondary alcohol that is nonane substituted by a hydroxy group at position 2. It has a role as a pheromone, a volatile oil component, a flavouring agent, a plant metabolite, a bacterial metabolite and a rat metabolite. It is a nonanol and a secondary alcohol.
Names & identifiers
- Preferred name
- 2-Nonanol
- IUPAC
- nonan-2-ol
- English name
- 2-Nonanol
- Molecular formula
- C9H20O
- Molecular weight
- 144.25
Names & synonyms
2-NONANOLNONAN-2-OL628-99-91-Methyl-1-octanolMethyl heptyl carbinolFEMA No. 3315NSC-9481292T5234DXCHEBI:78304DTXSID60862323(+-)-2-NonanolRefChem:477246
Show more names
FEMA 33152-NonanollNONANOL, 2-n-Nonan-2-ol2-Nonanol>2-Nonanol,99%2-Nonanol 99%
DTXCID50811108211-065-12-Nonyl AlcoholHeptylmethylcarbinolHeptyl methyl carbinol(R)-()-2-NonanolMethylheptylcarbinolMFCD00004593
Database identifiers
- CAS
628-99-9- PubChem CID
- 12367
- DTXSID
DTXSID60862323- ChEMBL
CHEMBL454517- ChEBI
CHEBI:78304- UNII
- 292T5234DX
- EC Number
- 211-065-1
- Nikkaji
- J96.506E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 61.7
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
FragrancesFragrance Ingredient (2-Nonanol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.823-0.847 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
0.259 mg/mL at 15 °C
insoluble in water; soluble in alcohol and oils
(in ethanol)
Boiling Point
193.00 to 194.00 °C. @ 760.00 mm Hg
193-194 °C
Melting Point-35.5 °C
Refractive Index1.426-1.432
Physical Description
Liquid
colourless liquid
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 1% (2 of 201) of reports.
Warning
H315 (99%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 201 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Nonanol
2-Nonanol: 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 environment
Hazard Classes and CategoriesSkin Irrit. 2 (99%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29051990
- risk_code
- 36/38-34-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C,F
- safety_code
- 26-36-45-36/37/39-16
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Nonanol: ACTIVE
Applications
Description2-Nonanol has a powerful fruity-green odor. Synthesized from nonene.
OccurrenceReported found in Ruta pinnata leaf oil, coconut oil, apple, banana, orange juice, kumquat peel oil, guava, strawberry, asparagus, clove, ginger, many cheeses, beer, cognac, rum, malt whiskey, white wine, passion fruit, mushroom, buckwheat, sweet corn, Bourbon vanilla and truffle
Uses2-Nonanol finds some use in perfume compositions, mainly as part of the topnote complex in green-floral bases, such as Gardenia or Carnation, or it may be a trace component in spice compositions where it introduces a pleasant freshness, particularly if there is a citrus note present. It gives a similar effect in Lavender or other herbaceous compositions. The alcohol finds limited use in flavor compositions as a trace ingredient in Coconut flavors or in various spice blends.
Preparation methods
PreparationFrom nonene
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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