2,6-dimethylphenyl 4-hydroxybenzene-1-sulfonate

2,6-Dimethylphenyl 4-hydroxybenzenesulfonate
Benzenesulfonic acid, 4-hydroxy-, 2,6-dimethylphenyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	AGNCPLAEUFOQPN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C14H14O4S/c1-10-4-3-5-11(2)14(10)18-19(16,17)13-8-6-12(15)7-9-13/h3-9,15H,1-2H3
IUPAC name chemrof:IUPAC_name	2,6-dimethylphenyl 4-hydroxybenzene-1-sulfonate
Molecular formula chemrof:molecular_formula	C14H14O4S
Molecular mass chemrof:molecular_mass	278.329
Monoisotopic mass chemrof:monoisotopic_mass	278.06128
SMILES string chemrof:smiles_string	Cc1cccc(C)c1OS(=O)(=O)c1ccc(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=1364731-90-7	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.233.478	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID201035882	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.208.534B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/89798625	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q126606038	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
179ac337-7c36-4115-992a-d0fc2704188b	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
e83661f6-d4fe-4bae-9c08-cfe4dafe551e	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
ae49abff-5b36-4c5d-9ed5-e6a06f7fe37a	Environmental → Air → Indoor	EF 3.1	kg	4
aeed3794-9bea-41e7-8e58-b47d45217204	Environmental → Air → Long-term	EF 3.1	kg	0
b56337c1-e57a-4e0c-91d0-4b548279dcd8	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
c955d0a6-0dd3-40de-8fe6-f757ec888653	Environmental → Air → Unknown	EF 3.1	kg	4
cd122f76-7498-4c83-9108-4a6b6bf4c9ed	Environmental → Ground → Agricultural	EF 3.1	kg	4
56e67169-ea5b-4506-98cf-f69b605de633	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
9f3c664c-5a8b-4efa-b6fe-81009d077a95	Environmental → Ground → Unknown	EF 3.1	kg	4
658c3962-de2b-478e-b5f6-f31572a00801	Environmental → Water → Long-term	EF 3.1	kg	0
5ae63456-dda5-42b3-a0a6-eed46c119fac	Environmental → Water → Ocean	EF 3.1	kg	4
2ae3b507-5231-43cb-a4b2-d3021dc8b35a	Environmental → Water → Surface water	EF 3.1	kg	4
f2ca72a9-3996-4185-9313-6aaa1c3dc34c	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (53 changes)

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Flow object JSON

{
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2,6-dimethylphenyl 4-hydroxybenzene-1-sulfonate

Identity

Structure

Alternative labels

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