Consensus flow list

(+)-Menthol

fo-2950a7238fec93f3

Identity

Type
NeutralMolecule
CAS
15356-60-2
EC
239-387-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for (+)-Menthol

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NOOLISFMXDJSKH-AEJSXWLSSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC(C)[C@H]1CC[C@H](C)C[C@@H]1O
IUPAC name chemrof:IUPAC_name (+)-(1S,3S,4R)-menthol
Molecular formula chemrof:molecular_formula C10H20O
Molecular mass chemrof:molecular_mass 156.269
Monoisotopic mass chemrof:monoisotopic_mass 156.151415, 156.15142
SMILES string chemrof:smiles_string CC1CCC(C(C)C)C(O)C1

Known URLs

20

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=15356-60-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:76306 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.763 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.035.791 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.035.792 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8029733 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11344 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2106989 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/menthol-racemic enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/C6B1OE8P3W enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.252E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=133874 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/D4N6NA3R9J2J enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL2106989 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/165675 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/18640220 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20932885 enrich_references.chebi_xrefs
reaxys reaxys:1902292 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1648123 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27084428 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a26071d7-2fa5-4286-acc4-b8976b7dd6ee Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b690701e-fd8e-4e53-b5ce-93827bfb9699 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
82172903-4112-4e12-bce5-02318f5bc22c Environmental → Air → Indoor EF 3.1 kg 2
7cd39f51-ae4a-4184-84b1-0e0b7a81c2d0 Environmental → Air → Long-term EF 3.1 kg 0
3278c1df-5a11-4b38-bd86-fa12890353e7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d5b9b53b-a846-4b2c-83bd-4051284b6bcb Environmental → Air → Unknown EF 3.1 kg 2
4f58317c-30be-4d1a-8c8e-3f8139d54b7b Environmental → Ground → Agricultural EF 3.1 kg 2
462665f8-cc92-4c8c-bf6d-a2ab165b0f17 Environmental → Ground → Non-agricultural EF 3.1 kg 2
1fb8f73d-de25-4035-afbd-6a27eb916863 Environmental → Ground → Unknown EF 3.1 kg 2
5634d3b0-d962-475e-aabd-c1b701965a71 Environmental → Water → Long-term EF 3.1 kg 0
5b2bd4be-a7bd-48bf-be90-c7190a833436 Environmental → Water → Ocean EF 3.1 kg 2
8657da46-a740-4471-81d4-c08f7c0021ab Environmental → Water → Surface water EF 3.1 kg 2
4605339d-1150-423c-bbf0-c475e95d66b4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
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