CAS 1502-06-3 Cyclodecanone (HCID 73918)

Substructure search Find similar structures

Basic information

CAS: 1502-06-3
Standard SMILES: O=C1CCCCCCCCC1
InChIKey: SXOZDDAFVJANJP-UHFFFAOYSA-N
Molecular formula: C10H18O
Average molar mass: 154.25 g/mol
Monoisotopic mass: 154.13576519

Names & identifiers

Preferred name: Cyclodecanone
IUPAC: cyclodecanone
English name: CYCLODECANONE
Molecular formula: C10H18O
Molecular weight: 154.25

Names & synonyms

CYCLODECANONE1502-06-3UNII-3N73MQZ9ZJ3N73MQZ9ZJEINECS 216-119-8NSC 90293NSC-90293SXOZDDAFVJANJP-UHFFFAOYSA-DTXSID60164490RefChem:129438DTXCID4086981216-119-8

Show more names

KetocyclodecaneCyclodecanone 97%Cyclodecanone,97%CYCLODECANONE CRYSTALLINEN-(6-amino-1-methyl-2,4-dioxo-5-pyrimidinyl)formamide

InChI=1/C10H18O/c11-10-8-6-4-2-1-3-5-7-9-10/h1-9H2SXOZDDAFVJANJP-UHFFFAOYSA-Ncyclodecan-1-oneMFCD00003713cyclodecanonNSC90293Cyclodecanone, 97%orb3181340

Database identifiers

CAS: 1502-06-3
PubChem CID: 73918
DTXSID: DTXSID60164490
UNII: 3N73MQZ9ZJ
EC Number: 216-119-8
Nikkaji: J4.538A

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 106

Experimental & physicochemical properties

Kovats Retention Index · 3 items

1369.7；1375.7；1380.3

1378.5；1390.6

1723；1726；1744

Physicochemical properties

Melting point: 21 · 21-24 °C (lit.)
Boiling point: 106 · 106-107 °C/12 mmHg (lit.)
Density: 0.958 g/mL · 0.958 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.482(lit.)
Flash point: 180 °F · 180 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Colourless Oil to Semi-Solid
Appearance: Colorless to light yellow Liquid
BRN: 1617127 · 1617127
InChI: 1S/C10H18O/c11-10-8-6-4-2-1-3-5-7-9-10/h1-9H2
InChIKey: SXOZDDAFVJANJP-UHFFFAOYSA-N

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)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.