3-methylpentan-3-ol

1-Ethyl-1-methyl-1-propanol
2-Ethyl-2-butanol
3-Hydroxy-3-methylpentane
3-Methyl-3-pentanol
3-Methyl-3-pentyl alcohol
3-Pentanol, 3-methyl-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	FRDAATYAJDYRNW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
IUPAC name chemrof:IUPAC_name	3-methylpentan-3-ol
Molecular formula chemrof:molecular_formula	C6H14O
Molecular mass chemrof:molecular_mass	102.177
Monoisotopic mass chemrof:monoisotopic_mass	102.104465
SMILES string chemrof:smiles_string	CCC(C)(O)CC

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=77-74-7	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.000.959	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0021755	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=75837	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL506184	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SR4551FEKB	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0302446	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J69.490H	enrich_references.pubchem_identifier_url
lipidmaps.org	https://lipidmaps.org/databases/lmsd/LMFA05000537	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=3395	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/6493	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q3278336	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/3-Methyl-3-pentanol	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
07098d6a-a7bf-4c34-8af0-0441cbfd7d84	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
926ec856-c098-4268-be99-ea17ffc20c54	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
2ae0a716-1561-4c42-accd-1a330ead5efd	Environmental → Air → Indoor	EF 3.1	kg	2
402191ce-ae97-4276-8797-2956d460b2e4	Environmental → Air → Long-term	EF 3.1	kg	0
c7237268-3031-4df4-92ff-6fc94df0b88b	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
98b69617-05e2-4c1f-8134-0a4f00448a72	Environmental → Air → Unknown	EF 3.1	kg	2
84f2e9b1-b5e4-4170-83b4-782d351a2cb0	Environmental → Ground → Agricultural	EF 3.1	kg	2
fddd19af-8107-46a8-ba7a-c666177bb695	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
ef7cd2d7-2ea3-4f61-b82a-bb609936d940	Environmental → Ground → Unknown	EF 3.1	kg	2
5ee72efa-5b63-4a1d-9fda-052b15406982	Environmental → Water → Long-term	EF 3.1	kg	0
6a0554a5-3260-422e-8cb2-14e28ecb9c78	Environmental → Water → Ocean	EF 3.1	kg	2
fbf94a2e-f117-4bee-80de-648d94d9dd78	Environmental → Water → Surface water	EF 3.1	kg	2
456995f9-e0bb-4d2f-8f48-d5aa8f079527	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-90a3867cd7a4c109",
  "prefLabel": [
    {
      "@value": "3-methylpentan-3-ol",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "1-Ethyl-1-methyl-1-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "2-Ethyl-2-butanol",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "3-Hydroxy-3-methylpentane",
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    },
    {
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    },
    {
      "@value": "3-Methyl-3-pentyl alcohol",
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    {
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}

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3-methylpentan-3-ol

Identity

Structure

Alternative labels

Properties

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Elementary flows

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