CAS 623-93-8 Nonan-5-ol (HCID 12202)

Overview

Nonan-5-ol is a secondary alcohol that is nonane substituted by a hydroxy group at position 5. It has a role as a pheromone and an animal metabolite. It is a nonanol and a secondary alcohol.

Names & identifiers

Preferred name: Nonan-5-ol
IUPAC: nonan-5-ol
English name: 5-NONANOL
Molecular formula: C9H20O
Molecular weight: 144.25

Names & synonyms

5-NONANOLNonan-5-olDibutylcarbinolNonanol-(5)AI3-04244EINECS 210-820-2DTXSID70211368NSC 4552RefChem:166434DTXCID70133859210-820-2FCBBRODPXVPZAH-UHFFFAOYSA-N

Show more names

SKL304NONANOL, 5-5-Nonanol>5-Nonanol,98%5-Nonanol,99%5-NONANOL 99%NONANOL, 5-(SG)NONANOL, 5-(RG)

623-93-8Dibutyl carbinol5-Nonyl AlcoholMFCD00021944NSC-45521-butylpentyl alcohol5-hydroxynonaneNSC4552

Database identifiers

CAS: 623-93-8
PubChem CID: 12202
DTXSID: DTXSID70211368
ChEBI: CHEBI:195606
UNII: 7MKD8SMM75
EC Number: 210-820-2
Nikkaji: J96.508A

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 10
Formal charge: 0
Complexity: 53.7

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]

SpringerMaterials PropertiesBoiling point

LogP3.36

Physicochemical properties

Melting point: 5 °C · 5°C
Boiling point: 195 °C · 195 °C (lit.)
Density: 0.821 g/mL · 0.821 g/mL at 20 °C (lit.)
refractive index: 20 · n20/D 1.429
Flash point: 96 °C · 96°C
storage temp.: 30 °C · Store below +30°C.
pka: 15.31 · 15.31±0.20(Predicted)
form: clear liquid
color: Colorless to Light yellow
Water Solubility: Soluble in water (0.46 mg/ml at 15°C), and chloroform.
BRN: 1733552 · 1733552
Henry's Law Constant: 5.2 · 5.2×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C9H20O/c1-3-5-7-9(10)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKey: FCBBRODPXVPZAH-UHFFFAOYSA-N
SMILES: CCCCC(O)CCCC
LogP: 3.23 · 3.230 (est)
CAS DataBase Reference: 623 · 623-93-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 7 MKD8SMM75 · 7MKD8SMM75
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
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
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Risk Statements: 36 · 36/37/38
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3
HS Code: 29051990 · 29051990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 5-Nonanol

Nonan-5-ol: 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 (50%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29051990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H227-H320
Precautionary statements: P210-P264-P280-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501