P-isopropylphenyl Isocyanate

1-Isocyanato-4-(1-methylethyl)benzene
1-Isocyanato-4-(propan-2-yl)benzene
1-Isocyanato-4-isopropylbenzene
1-Isocyanato-4-propan-2-ylbenzene
4-(1-Methylethyl)phenylisocyanate
4-Isopropylphenyl isocyanate
Benzene, 1-isocyanato-4-(1-methylethyl)-
Isocyanic acid, p-isopropylphenyl ester
p-Cumenyl isocyanate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	PJVRNNRZWASOIT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H11NO/c1-8(2)9-3-5-10(6-4-9)11-7-12/h3-6,8H,1-2H3
IUPAC name chemrof:IUPAC_name	1-Isocyanato-4-(1-methylethyl)benzene
Molecular formula chemrof:molecular_formula	C10H11NO
Molecular mass chemrof:molecular_mass	161.204
Monoisotopic mass chemrof:monoisotopic_mass	161.084064
SMILES string chemrof:smiles_string	CC(C)c1ccc(N=C=O)cc1

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=31027-31-3	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.045.840	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID40184999	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2R77N4F85Q	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J287.432F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/94416	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q55524624	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
36af883b-bafc-4f61-b40d-9cc3e39eab92	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
d551ece2-462e-46b9-9454-e1ed5b7c4016	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
7f3fc269-8ce2-4267-a000-3d146ada10a2	Environmental → Air → Indoor	EF 3.1	kg	2
42fce263-0d63-4caf-b62d-739a0b13d122	Environmental → Air → Long-term	EF 3.1	kg	0
bc1e4fd1-72f3-4291-94a0-82234354121b	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
2e8f66c6-61ef-4370-b596-6eeafe0c7895	Environmental → Air → Unknown	EF 3.1	kg	2
bd387143-d214-48e8-9727-00b1d77268cb	Environmental → Ground → Agricultural	EF 3.1	kg	2
1a804ff3-0c93-40f5-acbf-352f5a3e2ecb	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
5d6845bd-1b11-4de8-bfde-22a39b2adaa1	Environmental → Ground → Unknown	EF 3.1	kg	2
9d9c2690-4127-4fd8-b5e9-f713c32e060b	Environmental → Water → Long-term	EF 3.1	kg	0
ad426bcf-0ffa-41d4-be64-fcd9586e89b1	Environmental → Water → Ocean	EF 3.1	kg	2
ce0675d2-8f8e-4b35-8630-0edb9c0cf2fe	Environmental → Water → Surface water	EF 3.1	kg	2
6ba22d5d-7bd4-406a-bde0-9207ea46478a	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-54df4b2e42857ffb",
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    {
      "@value": "P-isopropylphenyl Isocyanate",
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}

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P-isopropylphenyl Isocyanate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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