옥토산 코발트

옥토산코발트 · 코발트 비스(2-에틸헥산오에이트) · 2-에틸헥산코발트(2가)염 · COBALT 2-ETHYLHEXANOATE · COBALT(II) 2-ETHYLHEXANOATE · Cobalt bis · Cobalt Octaote · Cobaltous octoate

https://huagongshe.com/ko/chemical/8696

식별자 및 물리적 특성

CAS No.	136-52-7
분자식	C16H30CoO4
평균 분자량	345.34 g/mol
단동위원소 질량	345.14760444 g/mol
SMILES	CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]
InChIKey	QAEKNCDIHIGLFI-UHFFFAOYSA-L
PubChem CID	8696
EC No.	205-250-6
DTXSID	DTXSID0027064
현지명	옥토산 코발트

화학 및 물리적 성질

극성 표면적	80.3
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	8
무거운 원자 수	21
형식 전하	0
복잡도	93.9
물질 분류	Metals -> Organic Acids, Metal Salts
Polymers	Plastics -> Other functions -> FillerPlastics -> PET
밀도	1.25 at 21.6 °C /OECD Guideline 109 (Density of Liquids and Solids)/1.002 g/mL at 25 °C
Color/Form	Blue liquidBlue-violet massPurple to dark blue waxy solid at 20 °C
용해도	In water, 25.05 g/L at 20 °C, pH 6.97 (after 72 hours shaking)6.3 g/L at 37 °C, pH 6.31-6.54 (after 72 hours shaking)Solubility in water, 40.3 g/L at 20 °C, pH 6.8 /OECD Guideline 105 (Water Solubility)/
끓는 점	Decomposes at approximately 90 deg before boiling if heated in an aluminum crucible under nitrogen
녹는점	Melts in the range between 53-58 °C if heated in an aluminum crucible under nitrogenmelts under decomposition in the range between 64-84 °C if heated in an glass capillary under air
Surface Tension	64.43 mN/m at 20 °C, concentration of 1 g/L
Food Contact Substances	FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description	CBILiquidBlue liquid[HSDB] Clear purple-blue liquidInsoluble in waterAvailable as 65% solution by weight in mineral spirits[MSDSonline]
Other Experimental Properties	Transformation/dissolution: the dissolution is 127.7 ug/L at 1 mg/L loading for the 28-day endpoint. The dissolution is 1405.1 ug/L at 10 mg/L loading for the 7-day endpoint. The dissolution is 14300.2 ug/L at 100 mg/L loading for the 7-day endpoint.
증기압	5Pa at 25℃
인화점	104 °F
물리적 상태	액체
색상	보라
용해도	40.3g/L at 20℃
InChI	InChI=1S/2C8H16O2.Co/c21-3-5-6-7(4-2)8(9)10/h27H,3-6H2,1-2H3,(H,9,10)/q+2/p-2
InChIKey	QAEKNCDIHIGLFI-UHFFFAOYSA-L
SMILES	[Co+2].C([O-])(=O)C(CC)CCCC.C([O-])(=O)C(CC)CCCC
EPA	Hexanoic acid, 2-ethyl-, cobalt(2+) salt (136-52-7)

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 0.3% (4 of 1174) of reports.DangerH226 (15.2%): Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P318, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1174 reports by companies from 54 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Hexanoic acid, 2-ethyl-, cobalt(2+) saltHexanoic acid, 2-ethyl-, cobalt(2+) salt (2:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 2-ethyl-, cobalt(2+) salt (2:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 24-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14779Hexanoic acid, 2-ethyl-, cobalt(2+) salt: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Cobalt salts of 2-ethylhexanoic acid and related compounds: Human health tier II assessment
유해성 요약	A case of occupational allergic contact dermatitis was reported[Reference #1] Available as a 65% by weight solution in mineral spirits[HSDB] High concentrations of vapor cause eye and respiratory tract irritation, and may cause drowsiness[MSDSonline] See Naphtha (coal tar). See Cobalt.
Special Reports	DHHS/National Toxicology ProgramReport on Carcinogens, Fourteenth Edition: Cobalt-Related Exposures (November 2016). The Report on Carcinogens is an informational scientific and public health document that identifies and discusses substances (including agents, mixtures, or exposure circumstances) that may pose a carcinogenic hazard to human health. Cobalt and cobalt compounds that release cobalt ions in vivo, including cobalt 2-ethylhexanoate, are reasonably anticipated to be human carcinogens.[Available from, as of January 10, 2017: http://ntp.niehs.nih.gov/pubhealth/roc/index-1.html]

용도

Paint driers, Polyester initiators, Petrochemical catalysts