Consensus flow list

Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl Acetate

fo-1e002f80f1cf05c2

Identity

Type
Neutral molecule
CAS
125-12-2
EC
204-727-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl Acetate

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

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KGEKLUUHTZCSIP-FOGDFJRCSA-N, KGEKLUUHTZCSIP-JBLDHEPKSA-N, KGEKLUUHTZCSIP-JFGNBEQYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
IUPAC name chemrof:IUPAC_name Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-
Molecular formula chemrof:molecular_formula C12H20O2
Molecular mass chemrof:molecular_mass 196.29
Monoisotopic mass chemrof:monoisotopic_mass 196.14633
SMILES string chemrof:smiles_string CC(=O)OC1CC2CCC1(C)C2(C)C

Known URLs

18

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=125-12-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.298 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7042061 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62486 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183823 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/isobornyl-acetate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/54T6CCU09Z enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0303381 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.597.226B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J232.197A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J232.198J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/247573 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/637531 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6950273 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q105140723 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q110188626 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q425010 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Isobornyl_acetate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e4a33129-c1ba-4f76-9911-75cb34439963 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fbcab135-4463-44fb-b719-6f5ac74b929d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d89ae43f-5e6c-45f8-99d7-1f6ae810f449 Environmental → Air → Indoor EF 3.1 kg 4
dd2a23b8-c071-4103-a8d1-f921b0afe1a9 Environmental → Air → Long-term EF 3.1 kg 0
7f0959bf-1802-45ed-bc82-502c311df205 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
cc554dee-8859-4fcf-9b22-feb7ff8e7749 Environmental → Air → Unknown EF 3.1 kg 4
d94ecba7-8b92-45a6-9221-7df53af9993c Environmental → Ground → Agricultural EF 3.1 kg 4
842279dc-2205-477f-85e7-423abfa6970e Environmental → Ground → Non-agricultural EF 3.1 kg 4
db996dab-7b0d-4efe-a1d4-fb14ac33644a Environmental → Ground → Unknown EF 3.1 kg 4
fac6ff1a-b98a-4d0c-bc26-97dc1a5e3e30 Environmental → Water → Long-term EF 3.1 kg 0
72152193-4204-4581-a6ce-b6c0addb62b3 Environmental → Water → Ocean EF 3.1 kg 4
987dce23-c9cf-4aef-88f4-617cf91b8da0 Environmental → Water → Surface water EF 3.1 kg 4
e5cfe251-0384-4628-831f-7ce9d5993e0f Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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