Substances (GSRS)

2-PENTADECANONE

Also: 2-PENTADECANONE [FHFI], FEMA NO. 3724, METHYL TRIDECYL KETONE +1

chemicalUNII B2Q48J997N
Open FDA's page for this record
Substance class
chemical
Definition type
PRIMARY
Definition level
COMPLETE
Uuid
67ea7f2c-ddaf-4dd9-8c50-ebbaa51121cf
Version
5
UNII
B2Q48J997N
Codes
  1. Uuid
    b5b0f59c-c9fa-4572-a317-06fda3a802cf
    Code
    2-PENTADECANONE
    Comments
    JECFA|FUNCTIONAL CLASSIFICATION|Flavouring Agent
    Type
    PRIMARY
    Url
    http://apps.who.int/food-additives-contaminants-jecfa-database/chemical.aspx?chemID=5204
    Code system
    JECFA EVALUATION
    References
    d8acdfa6-b121-466c-99ee-4e0f4b9ea7ab
  2. Uuid
    996a4535-9e37-4e90-88b1-a673fb49ea93
    Code
    2345-28-0
    Type
    PRIMARY
    Url
    https://commonchemistry.cas.org/detail?cas_rn=2345-28-0
    Code system
    CAS
    References
    d8acdfa6-b121-466c-99ee-4e0f4b9ea7ab, b20e52d5-4991-46f1-98a4-8a2b7ac3aca4
  3. Uuid
    8d531ef4-c83b-4675-a96d-01943ade986f
    Code
    C012474
    Type
    PRIMARY
    Url
    http://www.ncbi.nlm.nih.gov/mesh/67012474
    Code system
    MESH
    References
    d8acdfa6-b121-466c-99ee-4e0f4b9ea7ab
  4. Uuid
    4d74c25c-6189-46c6-8cfa-60736a628aa6
    Code
    219-064-8
    Type
    PRIMARY
    Url
    https://echa.europa.eu/substance-information/-/substanceinfo/100.017.332
    Code system
    ECHA (EC/EINECS)
    References
    d8acdfa6-b121-466c-99ee-4e0f4b9ea7ab
  5. Uuid
    ae168986-3eb7-4a15-b63c-4441010e86b0
    Code
    61303
    Type
    PRIMARY
    Url
    https://pubchem.ncbi.nlm.nih.gov/compound/61303
    Code system
    PUBCHEM
    References
    d8acdfa6-b121-466c-99ee-4e0f4b9ea7ab
  6. Uuid
    659e9b5b-4361-d5a5-c407-21d1ea343d55
    Code
    DTXSID6062333
    Type
    PRIMARY
    Url
    https://comptox.epa.gov/dashboard/chemical/details/DTXSID6062333
    Code system
    EPA CompTox
    References
    13a971a9-4d10-971c-5bd5-952aa8daccef
  7. Uuid
    7fffe214-c39d-45c3-b6ae-06a7a6fee360
    Code
    B2Q48J997N
    Type
    PRIMARY
    Code system
    FDA UNII
  8. Uuid
    f84d2966-e82c-7a7e-ecde-219fa17f1a52
    Code
    59
    Type
    PRIMARY
    Url
    https://www.fao.org/food/food-safety-quality/scientific-advice/jecfa/jecfa-flav/details/en/c/59/
    Code system
    JECFA MONOGRAPH
    References
    d747f737-517e-5f81-f12b-96bd754f360d
Names
  1. Uuid
    e6c077b3-7460-42b5-a527-d63375b5b81c
    Name
    2-PENTADECANONE
    StdName
    2-PENTADECANONE
    Type
    sys
    Preferred
    false
    Display name
    true
    Languages
    en
    References
    492140ed-3203-4bc4-8399-88bc4226d07e, b5bcb7b7-d9a1-43e3-8e63-0e70202e945e, eb8e25b8-8b5f-4379-925a-6ccb25cf7dcc
  2. Uuid
    1417669a-a83b-4f2d-b66a-e07f77bf1b21
    Name
    2-PENTADECANONE [FHFI]
    StdName
    2-PENTADECANONE [FHFI]
    Type
    cn
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    492140ed-3203-4bc4-8399-88bc4226d07e
  3. Uuid
    5fbdc378-85d6-492c-b5b3-739be011c6af
    Name
    FEMA NO. 3724
    StdName
    FEMA NO. 3724
    Type
    cd
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    4cba1aee-866b-4d21-86e7-16531bb5ab80, ba0df563-f95f-4891-8b3a-04d95ecc314a
  4. Uuid
    7b2bed90-4721-4ef1-850b-8390f5cad519
    Name
    METHYL TRIDECYL KETONE
    StdName
    METHYL TRIDECYL KETONE
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    d615c070-2cf8-4823-90fa-a20b4198b81d
  5. Uuid
    57f8e5c5-3896-495c-b085-9b520c5b181d
    Name
    PENTADECAN-2-ONE
    StdName
    PENTADECAN-2-ONE
    Type
    sys
    Preferred
    false
    Display name
    false
    Languages
    en
    References
    d615c070-2cf8-4823-90fa-a20b4198b81d
References
  1. Uuid
    ba0df563-f95f-4891-8b3a-04d95ecc314a
    Citation
    CHEMID FEMA BATCH 2010
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
  2. Uuid
    4cba1aee-866b-4d21-86e7-16531bb5ab80
    Citation
    CHEMID BATCH 2010
    Doc type
    CHEMID
    Public domain
    true
    Tags
    NOMEN
  3. Uuid
    eb8e25b8-8b5f-4379-925a-6ccb25cf7dcc
    Citation
    GRAS
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  4. Uuid
    d615c070-2cf8-4823-90fa-a20b4198b81d
    Citation
    CHEMID
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  5. Uuid
    492140ed-3203-4bc4-8399-88bc4226d07e
    Citation
    FHFI
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  6. Uuid
    d8acdfa6-b121-466c-99ee-4e0f4b9ea7ab
    Citation
    SRS CODE IMPORT
    Doc type
    SRS
    Public domain
    true
    Document date
    1493390983000
    Tags
    NOMEN
  7. Uuid
    eeb113c3-b55d-4c53-b447-d91c7f8b74ae
    Citation
    SRS import [B2Q48J997N]
    Url
    http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=B2Q48J997N
    Doc type
    SRS
    Public domain
    true
    Document date
    1493390983000
    Tags
    NOMEN
  8. Uuid
    58ffee94-c993-4113-8619-161918170934
    Citation
    CHEMID 2010
    Doc type
    SRS
    Public domain
    true
    Tags
    NOMEN
  9. Uuid
    b5bcb7b7-d9a1-43e3-8e63-0e70202e945e
    Citation
    2-PENTADECANONE [FHFI]
    Doc type
    SRS_LOCATOR
    Public domain
    true
  10. Uuid
    13a971a9-4d10-971c-5bd5-952aa8daccef
    Citation
    WEBSITE
    Url
    https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=2345-28-0
    Doc type
    WEBSITE
    Public domain
    true
    Tags
    NOMEN, PUBLIC_DOMAIN_RELEASE
  11. Uuid
    b20e52d5-4991-46f1-98a4-8a2b7ac3aca4
    Citation
    STN
    Doc type
    STN (SCIFINDER)
    Public domain
    true
  12. Uuid
    d747f737-517e-5f81-f12b-96bd754f360d
    Citation
    JECFA
    Doc type
    JECFA
    Public domain
    true
Moieties
  1. Uuid
    d689c235-0447-413d-a669-3294d1f9e497
    ID
    d689c235-0447-413d-a669-3294d1f9e497
    Smiles
    CCCCCCCCCCCCCC(=O)C
    Formula
    C15H30O
    Atropisomerism
    No
    Charge
    0
    Count
    1
    Stereochemistry
    ACHIRAL
    Defined stereo
    0
    Ez centers
    0
    Molecular weight
    226.3987
    Optical activity
    NONE
    Stereo centers
    0
    Molfile

    Marvin 01132111072D 16 15 0 0 0 0 999 V2000 2.2271 -5.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 -4.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6543 -5.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3722 -4.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0853 -5.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7993 -4.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5124 -5.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 -4.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9442 -5.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6574 -4.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3714 -5.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0846 -4.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8024 -5.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5164 -4.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2296 -5.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5164 -4.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 M END

    Count amount
    Type
    MOL RATIO
    Average
    1
    Units
    MOL RATIO
    Uuid
    84cbd0e8-952b-4508-a6b6-3d70554679f3
Structure
ID
c20a43f8-d014-45cf-92c2-5503ad23778f
Smiles
CCCCCCCCCCCCCC(=O)C
Formula
C15H30O
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
226.3987
Optical activity
NONE
Stereo centers
0
Molfile

Marvin 01132110022D 16 15 0 0 0 0 999 V2000 7.9442 -5.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 -4.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5124 -5.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7993 -4.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0853 -5.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3722 -4.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6543 -5.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9403 -4.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2271 -5.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6574 -4.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3714 -5.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0846 -4.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8024 -5.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5164 -4.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2296 -5.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5164 -4.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 1 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 M END

References
eeb113c3-b55d-4c53-b447-d91c7f8b74ae, 58ffee94-c993-4113-8619-161918170934
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