Basic information
- CAS
1565-81-7- Standard SMILES
CCCCCCCC(O)CC- InChIKey
ICEQLCZWZXUUIJ-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Overview
Decan-3-ol is a secondary alcohol that is decane substituted by a hydroxy group at position 3. It has a role as an Arabidopsis thaliana metabolite, a pheromone, a flavouring agent and an animal metabolite. It is a decanol and a secondary alcohol.
Names & identifiers
- Preferred name
- 3-Decanol
- IUPAC
- decan-3-ol
- English name
- 3-DECANOL
- Molecular formula
- C10H22O
- Molecular weight
- 158.28
Names & synonyms
3-Decanoldecan-3-olEthyl heptyl carbinolHeptyl ethyl carbinolEthyl n-heptyl carbinol3-HYDROXYDECANEFEMA No. 3605UNII-WTY84QBP4TWTY84QBP4TDL-DECAN-3-OL3-DECANOL [FHFI]1-ETHYL-1-OCTANOL
Show more names
3-Decanoi3-Decanol>3-HYDROXYDECANE3-DECYL ALCOHOLETHYLHEPTYLCARBINOLETHYL-N-HEPTYLCARBINOL3-Decyl Alcohol Ethylheptylcarbinol
AI3-19948DTXSID50862695FEMA 3605RefChem:93621(+-)-3-DECANOLDTXCID908114253-DECANOL, (+-)-605-062-8
Database identifiers
- CAS
1565-81-7- PubChem CID
- 519158
- DTXSID
DTXSID50862695- ChEBI
CHEBI:195405- UNII
- WTY84QBP4T
- EC Number
- 605-062-8
- Nikkaji
- J80.234D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 71.3
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesDensity
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.826-0.832
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
(in ethanol)
Boiling Point211 °C
Refractive Index1.435-1.439
Physical Description
Liquid; [Alfa Aesar MSDS]
colourless to pale yellow liquid with a floral odour
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Not Classified
Hazard information
Regulatory Information
Chemical: 3-Decanol
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
3-Decanol: 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
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] An irritant; [Alfa Aesar MSDS] See 1-Decanol.
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- hazard_code
- Xn,Xi
- safety_code
- 26-37-37/39-36
Chemistry & industry
Uses & manufacturing
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3-Decanol: ACTIVE
Applications
OccurrenceReported found in mint, French fried potato and spearmint oil.
Uses3-DECANOL is used as food flavorings.
Suppliers49 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
4 records
Compound notes
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