Basic information
- CAS
4454-16-4- Standard SMILES
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ni+2]- InChIKey
UVPKUTPZWFHAHY-UHFFFAOYSA-L- Molecular formula
- C16H30NiO4
- Average molar mass
- 345.1 g/mol
- Monoisotopic mass
- 344.149751
Names & identifiers
- Preferred name
- Nickel bis(2-ethylhexanoate)
- IUPAC
- bis(2-ethylhexanoate);nickel(2+)
- English name
- Nickel 2-ethylhexanoate
- Molecular formula
- C8H16NiO2
- Molecular weight
- 202.91
Names & synonyms
4454-16-4Nickel bis(2-ethylhexanoate)EINECS 224-699-9DTXSID40890588EC 224-699-9RefChem:165657DTXCID909288Hexanoic acid, 2ethyl, nickel(2+) salt224-699-9Nickel(II) 2-ethylhexanoate2-ethylhexanoate;nickel(2+)Hexanoic acid, 2-ethyl-, nickel(2+) salt
Show more names
NUSA NiNickel 2-ethylhexoateNickel 2-ethylhexanoateNickelous 2-ethylhexanoateNickel (II) ethylhexanoateRURZQVYCZPJWMN-UHFFFAOYSA-N2-ethylhexanoate,nickel(2+)Isooctanoic acid nickel 10%
MFCD00014002Nickel(II) 2-ethylhexanoate, 78% in 2-ethylhexanoic acid (10-15% Ni)nickelous;2-ethylhexanoateSCHEMBL197199nickel bis(2-ethyl hexanoate)nickel(2+) bis(2-ethylhexanoate)nickel(II) bis (2-ethylhexanoate)AKOS015912855
Database identifiers
- CAS
4454-16-4- PubChem CID
- 107553
- DTXSID
DTXSID40890588- EC Number
- 224-699-9
- Nikkaji
- J60.735E
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 93.9
Experimental & physicochemical properties
Chemical ClassesMetals -> Nickel Compounds, Inorganic
Physical Description
Liquid
Green and viscous; Not miscible in water; [MSDSonline]
Physicochemical properties
- Boiling point
- 327.2 ℃[at · 327.2℃[at 101 325 Pa]
- Density
- 0.96 g/mL · 0.96 g/mL at 25 °C (lit.)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Flash point
- 230 °F · >230 °F
- solubility
- sol toluene, xylenes; slightly sol hexane.
- form
- liquid
- Specific Gravity
- 1.08 · 1.08
- Water Solubility
- 110 mg/L · 110mg/L at 30℃
- InChI
- InChI=1S/C8H16O2.Ni/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
- InChIKey
- XRBQEYWBWZFUIJ-UHFFFAOYSA-N
- SMILES
- C(CC)(C(=O)O)CCCC.[Ni]
- LogP
- -0.33 · -0.33
- REACH Annex XVII Substances List
- Nickel bis(2-ethylhexanoate) (4454-16-4)
- EPA Substance Registry System
- 2 · Hexanoic acid, 2-ethyl-, nickel(2+) salt (4454-16-4)
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 317 · H317-H372-H350i-H341-H360D-H334-H410
- Precautionary statements
- 260 · P260-P264-P270-P314-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501-P273-P391-P501-P261-P285-P304+P341-P342+P311-P501
- Hazard Codes
- T,N
- Risk Statements
- 45 · 45-20/21/22-36/37/38-68-50/53-48/23-42/43-61-49
- Safety Statements
- 53 · 53-26-36/37/39-45-61-36/37-23
- RIDADR
- 2810 · 2810
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P302+P352, P304+P340, P318, P319, P321, P333+P317, P342+P316, P362+P364, P391, P403, P405, and P501 (click each P-code to see the statement)
Danger
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Hexanoic acid, 2-ethyl-, nickel(2+) salt
Hazard Traits - Carcinogenicity; Reproductive Toxicity; Respiratory Toxicity
Hexanoic acid, 2-ethyl-, nickel(2+) salt (2:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 2-ethyl-, nickel(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)
REACH registered substance: Nickel bis(2-ethylhexanoate) (EC: 224-699-9)
Restricted substance: Nickel bis(2-ethylhexanoate)
Hexanoic acid, 2-ethyl-, nickel(2+) salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Nickel salts of 2-ethylhexanoic acid: Human health tier II assessment
Hazards SummaryHarmful if swallowed; May cause skin sensitization; [MSDSonline] See Nickel and linked occupational diseases.
Hazard Classes and Categories
Acute Tox. 4 (95%)
Acute toxicity - category 4
Carc. 1A
Safety & protection
Threshold Limit Values (TLV)0.2 [mg/m3], inhalable fraction, as Ni
Permissible Exposure Limit (PEL)1.0 [mg/m3], as Ni
Immediately Dangerous to Life or Health (IDLH)10.0 [mg/m3], as Ni
Toxicology
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2810
- risk_code
- 45-20/21/22-36/37/38-68-50/53-48/23-42/43-61-49
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09
- hazard_code
- T,N
- safety_code
- 53-26-36/37/39-45-61-36/37-23
- Hazard statements
- H317-H372-H350i-H341-H360D-H334-H410
- REACH Registrations
- Active
- Precautionary statements
- P260-P264-P270-P314-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P201-P202-P281-P308+P313-P405-P501-P273-P391-P501-P261-P285-P304+P341-P342+P311-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesChemical reaction regulator
General Manufacturing Information
Petroleum Refineries
Hexanoic acid, 2-ethyl-, nickel(2+) salt (2:1): ACTIVE
Applications
UsesPetrochemical catalyst, Rubber manufacturing
Suppliers61 total
江西益众化工有限公司15307925109 15350027073 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
江苏豪隆化工有限公司0513-89083520 13328092525 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
杭州瑞科化工有限公司+86 0571 88254703 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Weifang Wehibest Supply Chain Co.,Ltd+undefined13583620690 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
武汉卡诺斯科技有限公司153-37111468 15337111468 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
长沙晶康新材料科技有限公司0731-85118349 18874718518 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
佛山市贝司化工有限公司18676837029 19584229548 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
武汉裕清嘉衡药业有限公司027-83850122 13343472658 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
湖北鑫杰成化工科技有限公司18008658050 18008658050 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
佛山晟熠生物科技有限公司18064670521 · [email protected]
武汉弘德悦欣医药科技有限公司027-83850116 18164090116 · [email protected]
湖北中隆康盛精细化工有限公司027-83850381 18171045381 · [email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
湖北诺纳科技有限公司027-59209883 17386138556 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
武汉麟盛科技有限公司18162769939 · [email protected]
广州尚合化学科技有限公司17665062297 17665062297 · [email protected]
重庆博涛生物科技有限公司15223382610 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广州远达新材料有限公司19849939632 19849939632 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
江苏润丰合成科技有限公司0513-66017678 18551497631 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江西浩硕化工有限公司15307027737 15347922863 · [email protected]
武汉青衫合源生物科技有限公司027-18327024450 18327024450 · [email protected]
湖北诺纳科技有限公司027-59209883 17386169806 · [email protected]
Related reactions
4 records
Compound notes
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