Stockhub

3-heptanone English (Q1287838)

Item Discussion
chemical compound
edit
Language Label Description Also known as
British English
No label defined
chemical compound

    Statements

    instance of
    chemical compound
    0 references
    Q21009057 (Deleted Item)
    1 reference
    reference URL
    http://www.cdc.gov/niosh/npg/npgd0266.html
    Q170744 (Deleted Item)
    0 references
    Q65988187 (Deleted Item)
    2 references
    stated in
    Q20968889 (Deleted Item)
    retrieved
    30 July 2019
    Q109911294 (Deleted Item)
    1 reference
    inferred from
    Q109911294 (Deleted Item)
    CAS registry number
    106-35-4
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    10GA6SR3AT
    language of work or name
    English
    title
    3-heptanone (English)
    retrieved
    19 November 2016
    InChIKey
    NGAZZOYFWWSOGK-UHFFFAOYSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    10 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=106-35-4
    PubChem CID
    7802
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    7802
    language of work or name
    English
    title
    3-Heptanone (English)
    retrieved
    19 November 2016
    chemical formula
    C₇H₁₄O
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    7802
    language of work or name
    English
    title
    3-Heptanone (English)
    retrieved
    19 November 2016
    EC number
    203-388-1
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    10GA6SR3AT
    language of work or name
    English
    title
    3-heptanone (English)
    retrieved
    19 November 2016
    InChI
    InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    7802
    language of work or name
    English
    title
    3-Heptanone (English)
    retrieved
    19 November 2016
    InChIKey
    NGAZZOYFWWSOGK-UHFFFAOYSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    7802
    language of work or name
    English
    title
    3-Heptanone (English)
    retrieved
    19 November 2016
    stated in
    Q98915402 (Deleted Item)
    UNII English
    10GA6SR3AT
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    10GA6SR3AT
    language of work or name
    English
    title
    3-heptanone (English)
    retrieved
    19 November 2016
    NIOSH Pocket Guide ID English
    0266
    0 references
    density English
    0.82±0.010000000000000009 http://www.wikidata.org/entity/Q13147228
    temperature English
    20±1 http://www.wikidata.org/entity/Q25267
    1 reference
    reference URL
    http://www.cdc.gov/niosh/npg/npgd0266.html
    immediately dangerous to life or health English
    4,670±10 http://www.wikidata.org/entity/Q21077820
    1 reference
    reference URL
    http://www.cdc.gov/niosh/npg/npgd0266.html
    melting point English
    −38±1 http://www.wikidata.org/entity/Q42289
    1 reference
    reference URL
    http://www.cdc.gov/niosh/npg/npgd0266.html
    −37.0 http://www.wikidata.org/entity/Q25267
    1 reference
    stated in
    Q69644056 (Deleted Item)
    boiling point English
    298±1 http://www.wikidata.org/entity/Q42289
    under pressure English
    760±1 http://www.wikidata.org/entity/Q185648
    1 reference
    reference URL
    http://www.cdc.gov/niosh/npg/npgd0266.html
    vapor pressure English
    4±1 http://www.wikidata.org/entity/Q6859652
    temperature English
    68±1 http://www.wikidata.org/entity/Q42289
    1 reference
    reference URL
    http://www.cdc.gov/niosh/npg/npgd0266.html
    flash point English
    115±1 http://www.wikidata.org/entity/Q42289
    determination method
    Cleveland open-cup method English
    1 reference
    reference URL
    http://www.cdc.gov/niosh/npg/npgd0266.html
    solubility English
    1±1 http://www.wikidata.org/entity/Q21127659
    temperature English
    68±1 http://www.wikidata.org/entity/Q42289
    solvent English
    water
    1 reference
    reference URL
    http://www.cdc.gov/niosh/npg/npgd0266.html
    ionisation energy
    9.02±0.0099999999999997868 http://www.wikidata.org/entity/Q83327
    series ordinal
    1
    1 reference
    reference URL
    http://www.cdc.gov/niosh/npg/npgd0266.html
    time-weighted average exposure limit English
    230±1 http://www.wikidata.org/entity/Q21077820
    applies to jurisdiction
    United States of America
    duration
    10±1 http://www.wikidata.org/entity/Q25235
    1 reference
    reference URL
    http://www.cdc.gov/niosh/npg/npgd0266.html
    ZVG number English
    37200
    0 references
    SMILES
    CCCCC(=O)CC
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    7802
    language of work or name
    English
    title
    3-Heptanone (English)
    retrieved
    19 November 2016
    ChemSpider ID
    7514
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    7514
    language of work or name
    English
    title
    3-Heptanone (English)
    retrieved
    19 November 2016
    ECHA InfoCard ID
    100.003.081
    1 reference
    stated in
    Q59911453 (Deleted Item)
    ECHA InfoCard ID
    100.003.081
    retrieved
    27 December 2018
    title
    Heptan-3-one (English)
    quotation
    CAS no.: 106-35-4 (English)
    mass
    114.104 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    7802
    language of work or name
    English
    title
    3-Heptanone (English)
    retrieved
    6 October 2016
    ChEBI ID
    50139
    mapping relation type English
    exact match English
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    50139
    language of work or name
    English
    title
    heptan-3-one (English)
    retrieved
    6 October 2016
    Reaxys registry number English
    506161
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    50139
    language of work or name
    English
    title
    heptan-3-one (English)
    retrieved
    6 October 2016
    DSSTox substance ID English
    DTXSID2047438
    1 reference
    stated in
    Q28061352 (Deleted Item)
    SPLASH English
    splash10-0a6r-9000000000-40ada3eeb51322d0129f
    0 references
    splash10-0a6r-9000000000-884a26b430e5a2b0ca43
    0 references
    splash10-0ab9-9100000000-0bdca1841d57cf5f49f6
    0 references
    Human Metabolome Database ID English
    HMDB0031482
    0 references
    MassBank accession ID English
    JP000268
    0 references
    JP006453
    0 references
    JP008842
    0 references
    JP009756
    0 references
    AICS Chemical ID
    2649
    0 references
    CosIng number English
    39135
    1 reference
    stated in
    Q26255597 (Deleted Item)
    CosIng number English
    39135
    retrieved
    28 December 2019
    title
    BUTYL ETHYL KETONE (English)
    quotation
    CAS no.: 106-35-4 (English)
    NSC number English
    8448
    0 references
    Microsoft Academic ID
    2776281150
    0 references
    DSSTOX compound identifier English
    DTXCID0027438
    0 references
    ICSC ID English
    0889
    0 references
    found in taxon
    Q272181 (Deleted Item)
    1 reference
    stated in
    Q56521926 (Deleted Item)
    Freebase ID
    /m/0zm_6ql
    0 references
    FL number English
    07.003
    1 reference
    quotation
    CAS no.: 106-35-4 (English)
    stated in
    Q105044213 (Deleted Item)
    retrieved
    23 January 2021
    FL number English
    07.003
    HCIS ID English
    2350
    0 references
    JECFA number English
    285
    1 reference
    stated in
    Q47128405 (Deleted Item)
    retrieved
    13 May 2021
    HSDB ID English
    1816
    1 reference
    stated in
    Hazardous Substances Data Bank
    HSDB ID English
    1816
    publication date
    28 October 2019
    title
    3-HEPTANONE (English)
    retrieved
    10 May 2021
    JECFA database ID English
    2624
    0 references
    Commons category
    3-Heptanone
    0 references
     
    Retrieved from ‘https://stockhub.co/index.php?title=Item:Q1287838&oldid=454387’