CAS 540-08-9 9-Heptadecanone (HCID 10887)

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Basic information

CAS: 540-08-9
Standard SMILES: CCCCCCCCC(=O)CCCCCCCC
InChIKey: WTJKUFMLQFLJOT-UHFFFAOYSA-N
Molecular formula: C17H34O
Average molar mass: 254.5 g/mol
Monoisotopic mass: 254.26096571

Overview

Dioctylketone is a ketone.

Names & identifiers

Preferred name: 9-Heptadecanone
IUPAC: heptadecan-9-one
English name: 9-HEPTADECANONE
Molecular formula: C17H34O
Molecular weight: 254.45

Names & synonyms

9-HEPTADECANONEHeptadecan-9-one540-08-9Dioctyl ketonePelargone9-OxoheptadecaneNSC-7336DTXSID50202310KXL8T26JYSRefChem:107913DTXCID50124801208-734-5

Show more names

HPDNnonyloneoctylketonePELARGONE TECH9-decaheptaone

Di-n-octyl ketoneDioctylketoneOctyl ketoneC17H34OMFCD00009573bis-octyl ketoneEINECS 208-734-5BRN 1707117

Database identifiers

CAS: 540-08-9
PubChem CID: 10887
DTXSID: DTXSID50202310
ChEMBL: CHEMBL2398215
ChEBI: CHEBI:213596
UNII: KXL8T26JYS
EC Number: 208-734-5
Nikkaji: J103.573H

Properties

Computed structural properties

XLogP: 7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 14
Heavy atoms: 18
Formal charge: 0
Complexity: 156

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 51 · 51-53°C
Boiling point: 250 · 250-253°C
Density: 0.8381 · 0.8381 (estimate)
refractive index: 1.4465 · 1.4465 (estimate)
Flash point: 250 · 250-253°C
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
Water Solubility: Soluble in toluene. Insoluble in water.
BRN: 1707117 · 1707117
LogP

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

rtecs: MI3925000
hs_code: 2914.19.0000
Toxicity: LDLo ivn-mus: 10 g/kg APTOA6 37,56,75
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362