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calcium(II) isooctanoate

calcium(II) isooctanoate structure

CAS No:
84777-61-7
Formula:
C16H30CaO4
Chemical Name:
calcium(II) isooctanoate
Synonyms:
calcium(II) isooctanoate;Calcium isooctanoate;Isooctanoic acid, calcium salt;Calcium(II)isooctanoat;Calcium isocaprylate;Isooctanoic acid,calcium salt (2:1)
Categories:
Organic Chemistry > Organometalate

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calcium(II) isooctanoate Basic Attributes

Molecular Weight：

326.485

Exact Mass：

326.177002

EC Number：

284-090-9

TSCA：

TSCA listed

Characteristics

PSA：

80.3

XLogP3：

1.90540

Boiling Point：

234.6ºC at 760 mmHg

Flash Point：

116.6ºC

Safety Information

Precautionary statement(s)：

P273, P501

Hazard Statements：

H413

GHS Classification：

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory.

calcium(II) isooctanoate Use and Manufacturing

Manufacturing Info：

Isooctanoic acid, calcium salt (2:1): ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:326.48
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:326.1770003
Monoisotopic Mass:326.1770003
Topological Polar Surface Area:80.3
Heavy Atom Count:21
Complexity:91.9
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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