Zinc Bis(2-ethylhexanoate)
fo-d250a44ae33c4711
Identity
- Type
- Chemical salt
- CAS
- 136-53-8
- EC
- 205-251-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
34- 2-Ethylhexanoic acid zinc salt
- Acima Zinc Octoate 18
- Acima Zinkoctoat 18
- Borchi Kat 22
- Car Zin 18
- Catana CAA 2947
- Hexanoic acid, 2-ethyl-, zinc salt
- Hexanoic acid, 2-ethyl-, zinc salt (2:1)
- Hexoate Zinc
- K-KAT XK 635
- Manosec Zn 22
- Nikka Octhix Zinc
- NUSA Zn
- Octope Zn
- Struktol ZEH
- Struktol ZEH 75
- Struktol ZEH-DL
- Therm-Chek 705
- Zinc 2-ethylcaproate
- Zinc 2-ethylhexanoate
- Zinc 2-ethylhexoate
- Zinc 2-ethylhexylate
- Zinc bis(2-ethyl hexanoate)
- Zinc bis(2-ethylcaproate)
- Zinc bis(2-ethylcapronate)
- Zinc bis(2-ethylhexoate)
- Zinc di(2-ethylhexanoate)
- Zinc di(2-ethylhexoate)
- Zinc ethylhexanoate
- Zinc Hex-Cem
- Zinc octoate
- Zinc α-ethylhexanoate
- Zinc(II) 2-ethylhexanoate
- Zn-Octanoate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | IFNXAMCERSVZCV-UHFFFAOYSA-L |
| InChI2D string chemrof:inchi2d_string | InChI=1S/2C8H16O2.Zn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2 |
| IUPAC name chemrof:IUPAC_name | Zinc Bis(2-ethylhexanoate) |
| Molecular formula chemrof:molecular_formula | C16H30O4Zn |
| Molecular mass chemrof:molecular_mass | 209.604, 351.802 |
| Monoisotopic mass chemrof:monoisotopic_mass | 208.044172, 350.143552 |
| SMILES string chemrof:smiles_string | CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zn+2] |
Known URLs
2Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=136-53-8 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/57493483 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 6d7ab83f-86af-406c-adbb-b23b2627957f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| c1e67411-aa60-49c8-a991-b627e9d63e15 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| cb881d4c-0032-431c-8f82-109ac3f6004a | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 54ef9a66-005a-4b6b-bf0f-2896c878c196 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4a71de94-d13d-4023-819a-1b97552b90d5 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 08929bd3-bd84-4739-a180-12f362adbcbe | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| ced9a01a-9de5-4832-9618-135de19d5258 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 95b32dd0-3bdb-436f-adae-49a29c543199 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| d0fbfc70-aa62-433a-ab56-03f8268cd6b4 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| f6bde516-57ac-49ad-8431-1d3271bd0f9c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ed055ca0-b65c-46d5-ad5b-9f185ed3a501 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| daba9492-d41a-41eb-ad8b-bdb81aeabb57 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| a38dfdcb-3624-4ea0-8d8e-026f8d96ec55 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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{
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{
"@value": "Zinc ethylhexanoate",
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{
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{
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{
"@value": "Zinc α-ethylhexanoate",
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{
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works