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Reaction Mass Of 2-methyl-3-{[(2r)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy}propan-1-ol And 2-methyl-3-{[(2s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy}propan-1-ol

fo-9fa1dfe493c8b272

Identity

Type
Neutral molecule
CAS
128119-70-0
EC
416-210-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Reaction Mass Of 2-methyl-3-{[(2r)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy}propan-1-ol And 2-methyl-3-{[(2s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy}propan-1-ol

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YCOHHRPARVZBHK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H26O2/c1-10(8-15)9-16-12-7-11-5-6-14(12,4)13(11,2)3/h10-12,15H,5-9H2,1-4H3
IUPAC name chemrof:IUPAC_name 1-Propanol, 2-methyl-3-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]-
Molecular formula chemrof:molecular_formula C14H26O2
Molecular mass chemrof:molecular_mass 226.36
Monoisotopic mass chemrof:monoisotopic_mass 226.19328
SMILES string chemrof:smiles_string CC(CO)COC1CC2CCC1(C)C2(C)C

Known URLs

7

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=128119-70-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.516 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.119.023 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4051322 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.781.571C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18955245 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81984699 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d7e1b412-6f7a-457b-9df8-c0545d17edaa Environmental → Air → Aircraft cruise height EF 3.1 kg 4
3627a971-dbfb-4b47-845d-5f7e3905820f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5dab601d-2c1a-4122-9a82-97acf93142f4 Environmental → Air → Indoor EF 3.1 kg 4
ecacec7e-2479-4aaa-8178-d38261f12d23 Environmental → Air → Long-term EF 3.1 kg 0
b0abe898-3811-4c34-a2be-0464291c978e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e90da980-6b7b-4ab4-a433-fefe3b2ba4d1 Environmental → Air → Unknown EF 3.1 kg 4
6522c377-ce83-4ef6-aa92-ff6001799d29 Environmental → Ground → Agricultural EF 3.1 kg 4
39253beb-0326-462f-8361-74b432106de4 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d0a520f7-74c8-418f-9009-067f2995f2ca Environmental → Ground → Unknown EF 3.1 kg 4
8c4c63bf-28dd-4a3f-a3a1-8f583c4a0ace Environmental → Water → Long-term EF 3.1 kg 0
2167b83e-4e78-4b0a-b78d-009117fba076 Environmental → Water → Ocean EF 3.1 kg 4
735353fd-81d7-4748-abd3-f4f447113b9d Environmental → Water → Surface water EF 3.1 kg 4
80a4d5de-d6af-4b18-b920-ba52531e9964 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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