Cyclooctylamine (HCID 2903)

Overview

structure

Names & identifiers

Preferred name: Cyclooctylamine
IUPAC: cyclooctanamine
English name: Cyclooctylamine
Molecular formula: C8H17N
Molecular weight: 127.23

Names & synonyms

CyclooctanamineCyclooctylamine5452-37-9AminocyclooctaneHE0JPO6GS5NSC-18965DTXSID9063900SKF-23880ARefChem:580905DTXCID9041736SKF 23880ASK&F-23880A

Show more names

AKOS BBS-00003592TIMTEC-BB SBB004245Cyclooctylamine >Cyclooctylamine 97%

226-694-7MFCD00001748Cyclooctylamine, 97+%cyclooctyl amine1-CyclooctanamineNSC20985CylcooctylamineEINECS 226-694-7

Database identifiers

CAS: 5452-37-9、6332-60-1
PubChem CID: 2903
DTXSID: DTXSID9063900
ChEMBL: CHEMBL1170791
UNII: HE0JPO6GS5
EC Number: 226-694-7
Nikkaji: J1.836H

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 63

Physicochemical properties

Melting point: -48 °C · -48 °C (lit.)
Boiling point: 190 °C · 190 °C (lit.)
Density: 0.928 g/mL · 0.928 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.482(lit.)
Flash point: 145 °F · 145 °F
storage temp.: 30 °C · Store below +30°C.
solubility: 10.2 g/l · 10.2g/l
form: Liquid
pka: 11.03 · 11.03±0.20(Predicted)
color: Clear colorless to light yellow
PH: 11.5 · 11.5 (4g/l, H2O, 20℃)
Water Solubility: 10.2 g/L · Soluble in water. 10.2 g/L at 20°C.
BRN: 2689120 · 2689120
InChI: 1S/C8H17N/c9-8-6-4-2-1-3-5-7-8/h8H,1-7,9H2
InChIKey: HSOHBWMXECKEKV-UHFFFAOYSA-N
SMILES: NC1CCCCCCC1
CAS DataBase Reference: 5452 · 5452-37-9(CAS DataBase Reference)
FDA UNII: 0 JPO6GS5 · HE0JPO6GS5
NIST Chemistry Reference: Cyclooctanamine(5452-37-9)
EPA Substance Registry System: Cyclooctanamine (5452-37-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29213000 · 29213000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationCyclooctylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
hs_code: 29213000
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclooctanamine: ACTIVE

Applications

UsesCyclooctylamine is used as pharmaceutical intermediates. It is used as a component of urea herbicides, e.g., cycluron (BASF). Its chemical behavior is analogous to that of other primary amines.