Decan-5-ol

HCID 99868

Substructure search Find similar structures

Basic information

CAS: 5205-34-5
Standard SMILES: CCCCCC(O)CCCC
InChIKey: SZMNDOUFZGODBR-UHFFFAOYSA-N
Molecular formula: C10H22O
Average molar mass: 158.28 g/mol
Monoisotopic mass: 158.16706532

Overview

Decan-5-ol is a secondary alcohol that is decane substituted by a hydroxy group at position 5. It has a role as a marine metabolite and an algal metabolite. It is a decanol and a secondary alcohol.

Names & identifiers

Preferred name: Decan-5-ol
IUPAC: decan-5-ol
English name: 5-DECANOL
Molecular formula: C10H22O
Molecular weight: 158.28

Names & synonyms

5-DecanolDecan-5-ol5205-34-5AI3-19950EINECS 225-999-2DTXSID201318612NSC 244888Decan5olRefChem:585355DTXCID40854781225-999-2Amylbutylcarbinol

Show more names

Decane-5-ol5-DECANOL 99%5-Decanol >5-DECYL ALCOHOLBUTYL PENTYL CARBINOLN-AMYL-N-BUTYLCARBINOL

5-Decyl AlcoholButylpentylcarbinolMFCD00039626GUU86H79T8NSC-2448885-hydroxydecaneNSC244888UNII-GUU86H79T8

Database identifiers

CAS: 5205-34-5
PubChem CID: 99868
DTXSID: DTXSID201318612
ChEBI: CHEBI:195603
UNII: GUU86H79T8
EC Number: 225-999-2
Nikkaji: J112.107C

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 11
Formal charge: 0
Complexity: 71.3

Experimental & physicochemical properties

SolventsSolvents -> Alcohols (<C12)

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless liquid; [Chem Service MSDS]

Physicochemical properties

Melting point: 9 °C · 9 °C
Boiling point: 80 °C · 80 °C / 5mmHg
Density: 0.83 · 0.83
refractive index: 1.432 · 1.4320-1.4340
pka: 15.44 · 15.44±0.20(Predicted)
form: clear liquid
color: Colorless to Light yellow
Henry's Law Constant: 4.5 · 4.5×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
LogP: 3.74 · 3.740 (est)
FDA UNII: 86 H79T8 · GUU86H79T8
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H320
Precautionary statements: 210 · P210-P264-P280-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
HS Code: 2905.19 · 2905.19.9010

Safety & regulation

GHS classification

GHS Classification · 5 items

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

Hazards SummaryMay cause irritation; [Chem Service MSDS] See 1-Decanol.

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

hs_code: 2905.19.9010
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H227-H320
Precautionary statements: P210-P264-P280-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501