1-Nonen-3-ol
Basic information
- CAS
21964-44-3- Standard SMILES
C=CC(O)CCCCCC- InChIKey
DWUPJMHAPOQKGJ-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Overview
Delta1-nonen-3-ol is an aliphatic alcohol.
Names & identifiers
- Preferred name
- 1-Nonen-3-ol
- IUPAC
- non-1-en-3-ol
- English name
- 1-NONEN-3-OL
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
1-Nonen-3-ol21964-44-3Non-1-en-3-olHexylvinylcarbinol1-Vinylheptanol3-Hydroxy-1-noneneHexyl vinyl carbinol0GKA6U7Q9GNSC 102782NSC-102782DWUPJMHAPOQKGJ-UHFFFAOYSA-DTXSID30865023
Show more names
1-ene-3-ol1-Nonene-3-olnonene-1-ol-31-Nonen-3-ol>1-NONEN-3-OL 98%1-Nonen-3-ol,98%1-Vinyl-1-heptanol
EINECS 244-686-1RefChem:435092DTXCID80813478(+-)-1-NONEN-3-OL1-NONEN-3-OL, (+-)-244-686-1InChI=1/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3delta1-nonen-3-ol
Database identifiers
- CAS
21964-44-3- PubChem CID
- 89560
- DTXSID
DTXSID30865023- ChEBI
CHEBI:179597- UNII
- 0GKA6U7Q9G
- EC Number
- 244-686-1
- Nikkaji
- J110.599J
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 78.8
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Flavoring AgentsEU Flavoring substances
Boiling Point195.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Melting point
- -7 °C · -7°C (estimate)
- Boiling point
- 192 · 192-194 °C
- Density
- 0.83 · 0.83
- refractive index
- 1.438 · 1.438-1.444
- FLAVIS Number
- 2.187 · 02.187 | Non-1-en-3-ol
- Flash point
- 84 °C · 84 °C
- pka
- 14.63 · 14.63±0.20(Predicted)
- color
- Colorless oily liquid
- Specific Gravity
- 0.85 · 0.85
- Odor
- 100 % · at 100.00 %. intensely oily creamy green earthy mushroom
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 97.8% (90 of 92) of all reports.
Not Classified
Aggregated GHS information provided per 92 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1-Nonen-3-ol
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1-Nonen-3-ol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- safety_code
- 24/25
- Hazard statements
- H227
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
General Manufacturing Information1-Nonen-3-ol: ACTIVE
Applications
UsesHexyl vinyl carbinol finds some use in flavor compositions, mainly as a modifier for Amyl vinyl carbinol in Mushroom flavors.
Preparation methods
PreparationHexyl vinyl carbinol is produced from hexyl magnesium bromide plus Acrolein by Grignard reaction.
Additional notes
DefinitionChEBI: Delta1-nonen-3-ol is an aliphatic alcohol.
Related reactions
3 records
Compound notes
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