Hydratropic Acid

(+-)-Hydratropasaeure
(+-)-hydratropic acid
(RS)-2-Phenylpropanoic acid
(RS)-2-Phenylpropionic acid
(±)-2-Phenylpropanoic acid
(±)-2-Phenylpropionic acid
(±)-Hydratropic acid
(±)-α-Methylphenylacetic acid
2-phenylpropanoic acid
2-phenylpropionic acid
alpha-methylbenzeneacetic acid
alpha-methylphenylacetic acid
alpha-phenylpropionic acid
Benzeneacetic acid, α-methyl-
DL-2-Phenylpropionic acid
dl-PPA
Hydratropasaeure
α-Methylbenzeneacetic acid
α-Methylphenylacetic acid
α-Phenylpropanoic acid
α-Phenylpropionic acid

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	YPGCWEMNNLXISK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
IUPAC name chemrof:IUPAC_name	Hydratropic Acid
Molecular formula chemrof:molecular_formula	C9H10O2
Molecular mass chemrof:molecular_mass	150.177
Monoisotopic mass chemrof:monoisotopic_mass	150.06808
SMILES string chemrof:smiles_string	CC(C(=O)O)c1ccccc1

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=492-37-5	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48526	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.007.048	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID80862027	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=245032	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=245033	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=42872	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL370925	enrich_references.pubchem_identifier_url
gmelin	gmelin:506182	enrich_references.chebi_xrefs
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CH15E393A2	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0011743	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.433.032J	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J313.188B	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=133036	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/10296	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=110925	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/11159807	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/2865113	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/412331	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/939327	enrich_references.chebi_xrefs
reaxys	reaxys:1863558	enrich_references.chebi_xrefs
wikidata.org	https://www.wikidata.org/wiki/Q27121253	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
9c28c866-122d-42f9-bccf-6fdf4ce56e81	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
71670b34-3de2-45a3-ac2a-281885cff19b	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
b6825164-1a61-4ccc-b7cc-e05786f81a0e	Environmental → Air → Indoor	EF 3.1	kg	2
c7843e3a-98cc-4f89-8a75-fbc8c8a55349	Environmental → Air → Long-term	EF 3.1	kg	0
393caace-a8d6-418a-9c2f-9fcf60d4dbc4	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4fa06198-4a54-4537-85cd-4c9308ee9825	Environmental → Air → Unknown	EF 3.1	kg	2
1ef1a9d4-dc05-41dd-bd46-a36b1c4a7367	Environmental → Ground → Agricultural	EF 3.1	kg	2
4e806d60-2b5e-4e4d-b0f7-d3756e4c29d8	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
67fba8c0-c47b-413e-a3d7-95b7071dfe26	Environmental → Ground → Unknown	EF 3.1	kg	2
0d15047e-d0d2-4c92-8e45-acfc3851beba	Environmental → Water → Long-term	EF 3.1	kg	0
9253bab3-0037-4b0e-baa3-d49e26e6965f	Environmental → Water → Ocean	EF 3.1	kg	2
580d372b-1bb6-4d80-82d4-b22c22be1d97	Environmental → Water → Surface water	EF 3.1	kg	2
7fd67cd2-6bfa-4771-93fd-7887df51e939	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-8f9861bd39097e94",
  "prefLabel": [
    {
      "@value": "Hydratropic Acid",
      "@language": "en",
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  "altLabel": [
    {
      "@value": "(+-)-Hydratropasaeure",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(+-)-hydratropic acid",
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      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "(RS)-2-Phenylpropanoic acid",
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    {
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    {
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    },
    {
      "@value": "(±)-Hydratropic acid",
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    },
    {
      "@value": "(±)-α-Methylphenylacetic acid",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-phenylpropanoic acid",
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    },
    {
      "@value": "2-phenylpropionic acid",
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    },
    {
      "@value": "alpha-methylbenzeneacetic acid",
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    {
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      "@language": "en",
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    {
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    },
    {
      "@value": "DL-2-Phenylpropionic acid",
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    {
      "@value": "dl-PPA",
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    {
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    {
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
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        "C9H10O2"
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      "attested_by": {
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Hydratropic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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