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2191-10-8

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Basic Information
CAS No.: 2191-10-8
Name: CADMIUM OCTOATE-LIQUID
Molecular Structure:
Molecular Structure of 2191-10-8 (CADMIUM OCTOATE-LIQUID)
Formula: C8H16 O2 . 1/2 Cd
Molecular Weight: 398.86
Synonyms: Cadmiumoctanoate (7CI); Octanoic acid, cadmium salt (8CI,9CI); Cadmium caprylate;Cadmium octoate; Cadmium octylate; Synpron 1202
Density: g/cm3
Boiling Point: 239.3°Cat760mmHg
Flash Point: 107.4°C
Safety: Confirmed human carcinogen. Poison by ingestion and intratracheal routes. When heated to decomposition it emits toxic fumes of Cd. See also CADMIUM COMPOUNDS.
PSA: 80.26000
LogP: 2.19110
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Chemistry

Molecular Structure of Cadmium octoate-liquid (CAS NO. 2191-10-8):

EINECS: 218-585-8
Systematic Name: Calcium octanoate 
Molecular Formula: C16H30CaO4
Molecular Weight: 326.485
SMILES: [Ca+2].[O-]C(=O)CCCCCCC.[O-]C(=O)CCCCCCC
InChI: InChI=1/2C8H16O2.Ca/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2
InChIKey: NDWWLJQHOLSEHX-NUQVWONBAF 
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 37.3 Å2
Flash Point: 107.4 °C
Enthalpy of Vaporization: 50.32 kJ/mol
Boiling Point: 239.3 °C at 760 mmHg
Vapour Pressure of Cadmium octoate-liquid (CAS NO. 2191-10-8): 0.022 mmHg at 25 °C

Toxicity Data With Reference

1.    

orl-rat LD50:950 mg/kg

     JHEMA2    Journal of Hygiene, Epidemiology, Microbiology and Immunology. 18 (1974),144.
2.    

itr-rat LDLo:9 mg/kg

     JOHYAY    Journal of Hygiene. 18 (1974),144.
3.    

orl-mus LD50:300 mg/kg

     JHEMA2    Journal of Hygiene, Epidemiology, Microbiology and Immunology. 18 (1974),144.

Consensus Reports

Reported in EPA TSCA Inventory. Cadmium and its compounds are on the Community Right-To-Know List.

Safety Profile

Confirmed human carcinogen. Poison by ingestion and intratracheal routes. When heated to decomposition it emits toxic fumes of Cd. See also CADMIUM COMPOUNDS.

Standards and Recommendations

OSHA PEL: TWA 5 µg(Cd)/m3
ACGIH TLV: TWA 0.002 mg(Cd)/m3 (respirable dust), Suspected Human Carcinogen); BEI: 5 µg/g creatinine in urine; 5 µg/L in blood
NIOSH REL: (Cadmium) Reduce to lowest feasible level

Specification

  Cadmium octoate-liquid with cas registry number of 2191-10-8 is also known as Cadmium octoate ; Calcium di(octanoate) ; Octanoic acid, cadmium salt ; Cadmium caprylate ; Cadmium octanoate ; Octanoic acid, cadmium salt (2:1) .