CAS 6688-11-5 Cyclooctanecarbaldehyde (HCID 81190)

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Basic information

CAS: 6688-11-5
Standard SMILES: O=CC1CCCCCCC1
InChIKey: IGGUWVNICWZJQU-UHFFFAOYSA-N
Molecular formula: C9H16O
Average molar mass: 140.22 g/mol
Monoisotopic mass: 140.12011513

Names & identifiers

Preferred name: Cyclooctanecarbaldehyde
IUPAC: cyclooctanecarbaldehyde
English name: Cyclooctanecarbaldehyde
Molecular formula: C9H16O
Molecular weight: 140.22

Names & synonyms

CyclooctanecarbaldehydeCyclooctanecarboxaldehydeEINECS 229-732-0AI3-39192IGGUWVNICWZJQU-UHFFFAOYSA-DTXSID30217028RefChem:129804DTXCID30139519229-732-0IGGUWVNICWZJQU-UHFFFAOYSA-NInChI=1/C9H16O/c10-8-9-6-4-2-1-3-5-7-9/h8-9H,1-7H26688-11-5

Show more names

RARECHEM AK ML 0064CYCLOOCTANECARBALDEHYDE HYDRATE

cyclooctanealdehydeMFCD00001747Cyclooctane-1-carbaldehydeformylcyclooctaneFormylcyclooctane.Cyclooctyl-formaldehydCyclooctanecarbaldehyde #Cyclooctane carboxaldehyde

Database identifiers

CAS: 6688-11-5
PubChem CID: 81190
DTXSID: DTXSID30217028
EC Number: 229-732-0
Nikkaji: J81.267F

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 90.9

Physicochemical properties

Boiling point: 199 · 199-200°C
Density: 0.9271 · 0.9271
refractive index: 1.474 · 1.474
CAS DataBase Reference: 6688 · 6688-11-5(CAS DataBase Reference)
NIST Chemistry Reference: Cyclooctanecarboxaldehyde(6688-11-5)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 10 · 10-36/37/38-36-22
Safety Statements: 16 · 16-26-36
RIDADR: 1989 · 1989
HS Code: 2912290090 · 2912290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (25%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.