2,4-dimethylpentan-3-ol

2,4-Dimethyl-3-hydroxypentane
2,4-Dimethyl-3-pentanol
2,4-Dimethyl-3-pentyl alcohol
3-Pentanol, 2,4-dimethyl-
Diisopropylcarbinol
Diisopropylmethanol
Diisopropylmethyl alcohol

Property	Value
InChI2D key string chemrof:inchi2d_key_string	BAYAKMPRFGNNFW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3
IUPAC name chemrof:IUPAC_name	2,4-dimethylpentan-3-ol
Molecular formula chemrof:molecular_formula	C7H16O
Molecular mass chemrof:molecular_mass	116.204
Monoisotopic mass chemrof:monoisotopic_mass	116.120115
SMILES string chemrof:smiles_string	CC(C)C(O)C(C)C

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=600-36-2	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.009.086	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9022075	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8696	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2260956	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N54K81P01F	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.491H	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=127591	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11752	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27284566	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
75e145d7-93d5-4650-9fc6-d0c1402617b6	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
1d03b0cf-7f1d-4a54-b744-751849cbe190	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
7466fe47-d5cb-4a51-b708-f0fa8e3c63d7	Environmental → Air → Indoor	EF 3.1	kg	2
53014892-8315-4a5e-9884-153bcb516ac3	Environmental → Air → Long-term	EF 3.1	kg	0
ffd0d41a-0152-42d0-8848-118c2f2bde81	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
50a41b3b-21d3-478f-abe6-4f73ed5f39fc	Environmental → Air → Unknown	EF 3.1	kg	2
ab45c893-50d2-46d6-aba1-504d54d6b087	Environmental → Ground → Agricultural	EF 3.1	kg	2
7a48e90a-9782-4810-a10a-73bfe03ec65e	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
9c0ee167-64af-41b5-bfae-cca8f947d0e6	Environmental → Ground → Unknown	EF 3.1	kg	2
2097a660-5309-488a-b6f5-376e03efd1b2	Environmental → Water → Long-term	EF 3.1	kg	0
a0453d11-558f-4210-a2de-b6fd9ab6168e	Environmental → Water → Ocean	EF 3.1	kg	2
f51fe3d3-ce53-4e0a-97d8-635db5c9103f	Environmental → Water → Surface water	EF 3.1	kg	2
d210a3b8-5aea-4f88-b769-25e8fcadf3ff	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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2,4-dimethylpentan-3-ol

Identity

Structure

Alternative labels

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