Isopropyl Isodecanoate

Crodamol IPIS
Isooctadecanoic acid, 1-methylethyl ester
Isopropyl isostearate
Nikkol EPIS
Nikkol IPIS
Prisorine IPIS 2021
Unimate IPIS

Property	Value
InChI2D key string chemrof:inchi2d_key_string	NEOZOXKVMDBOSG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C21H42O2/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(22)23-20(3)4/h19-20H,5-18H2,1-4H3
IUPAC name chemrof:IUPAC_name	Isooctadecanoic acid, 1-methylethyl ester
Molecular formula chemrof:molecular_formula	C21H42O2
Molecular mass chemrof:molecular_mass	326.565
Monoisotopic mass chemrof:monoisotopic_mass	326.318481
SMILES string chemrof:smiles_string	CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C

Where 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=68171-33-5	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.046.031	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.062.730	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID101015768	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/C67IXB9Y7T	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J24.705G	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/94625	enrich_references.pubchem_compound
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1314415	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27275243	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
b23d9b09-1305-497f-8899-e0ab9f56e2f1	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
a529b564-8e4a-4387-8b86-b90e7f1aeb2f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
3cdcc472-fea6-4e34-b665-c0d76e7aa051	Environmental → Air → Indoor	EF 3.1	kg	4
87d46fb3-95b3-4d21-b4fc-0511d088882b	Environmental → Air → Long-term	EF 3.1	kg	0
83cee164-bab7-4e50-8aac-c4cdbce734c4	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
b57250c6-12f7-4a7f-9a4a-92268ee502a0	Environmental → Air → Unknown	EF 3.1	kg	4
d23d7b9b-9ad4-42c1-a8bf-5bfe86eef1e2	Environmental → Ground → Agricultural	EF 3.1	kg	4
cb894f99-3257-47b9-a65d-f10c1df54d53	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
d9f8b17c-4dac-4021-9363-e3b59bab2994	Environmental → Ground → Unknown	EF 3.1	kg	4
16d1e513-4947-4ae4-acd2-792503e046fe	Environmental → Water → Long-term	EF 3.1	kg	0
a4efd9da-f624-452b-984c-a5cbc80cbe06	Environmental → Water → Ocean	EF 3.1	kg	4
63e95798-898e-47f5-b607-e53781cc0288	Environmental → Water → Surface water	EF 3.1	kg	4
785c12e0-27a9-49fc-9661-97fe634ad1ab	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-0b26cc2f3e904f3b",
  "prefLabel": [
    {
      "@value": "Isopropyl Isodecanoate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Crodamol IPIS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isooctadecanoic acid, 1-methylethyl ester",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Isopropyl isostearate",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    {
      "@value": "Nikkol EPIS",
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}

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Isopropyl Isodecanoate

Identity

Structure

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