Cas no 149-29-1 (Patulin)

Patulin structure
Patulin structure
Product Name:Patulin
CAS No:149-29-1
MF:C7H6O4
MW:154.120142459869
MDL:MFCD00005858
CID:141789
PubChem ID:329754833
Update Time:2025-04-19

Patulin Chemical and Physical Properties

Names and Identifiers

    • 4H-Furo[3,2-c]pyran-2(6H)-one,4-hydroxy-
    • 4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
    • PATULIN
    • Patulin solution
    • PATULIN(RG)
    • 100μg
    • 4-Hydroxy-4H-furo[3,2-c]pyran-2(6H)-one,PAT
    • Clairformin
    • Clavacin
    • Clavatin
    • Claviform
    • Expansin
    • Expansine
    • Gigantin
    • Leucopin
    • Patuline
    • PAT
    • 4-Hydroxy-4H-furo[3,2-c]pyran-2(6H)-one
    • mycoin
    • mycoinc
    • mycosin
    • penatin
    • Terinin
    • Claviformin
    • Tercinin
    • Mycoine C3
    • Mycoin C3
    • Penicidin
    • Mycoin C
    • 4-Hydroxy-4H-furo(3,2-C)pyran-2(6H)-one
    • 4H-Furo[3,2-c]pyran-2(6H)-one, 4-hydroxy-
    • 4,6-Dihydro-4-hydroxy-2H-furo(3,2-c)pyran-2-one
    • (2,4-Dihydroxy-2H-pyran-3(6H)-ylidene)acetic acid, 3,4-lactone
    • NSC8120
    • NSC32951
    • EINE
    • KBio1_000438
    • 4-Hydroxy-4H,6H-furo[3,2-c]pyran-2-one
    • HSDB 3522
    • NSC-8120
    • Clavicin
    • 2,4-Dihydroxy-2H-pyran-.delta.-3(6H),.alpha.-acetic acid, 3,4-lactone
    • HY-N6779
    • CS-0083018
    • J-008576
    • Clavacin; Expansin
    • PATULIN [MI]
    • 2H-Pyran-.delta.(sup 3(6H), 2,4-dihydroxy-, 3,4-lactone
    • IDI1_000438
    • WLN: T56 BOV GO IU & TJ FQ
    • SPECTRUM1503904
    • YS 1649
    • NSC 32951
    • NS00011821
    • SCH 351633
    • EX-A5478
    • 5-18-03-00005 (Beilstein Handbook Reference)
    • NCGC00095272-02
    • Clavitin
    • BCP29227
    • SR-05000002238-3
    • KBio2_002923
    • (2, 3,4-lactone
    • 4-hydroxy-2H,4H,6H-furo[3,2-c]pyran-2-one
    • 2H-Pyran-delta(sup 3(6H),alpha)-acetic acid, 2,4-dihydroxy-, 3,4-lactone
    • 2H-Pyran-alpha )-acetic acid, 2,4-dihydroxy-, 3,4-lactone
    • HMS1923M19
    • FT-0673527
    • MFCD00005858
    • SCHEMBL29056
    • A12069
    • starbld0009637
    • Patulin 100 microg/mL in Acetonitrile
    • Gigantic acid?
    • CHEBI:74926
    • BDBM50158841
    • Patulin Solution in Acetonitrile, 100ug/mL
    • 4H-Furo(3,3-c)pyran-2(6H)-one, 4-hydroxy-
    • Antibiotic YS 1649
    • NCGC00095272-01
    • 2H-Pyran-.delta.(3(6H),.alpha.)-acetic acid, 2,4-dihydroxy-,3,4-lactone
    • Neuro_000008
    • CCG-208451
    • SR-05000002238
    • 2H-Pyran-.delta.(sup 3(6H), 2,4-dihydroxy-,3,4-lactone
    • CHEMBL294018
    • EINECS 205-735-2
    • NCGC00095272-05
    • 247172-18-5
    • SMP1_000230
    • NCGC00095272-03
    • Expansion
    • 4-Hydroxy-4H-Furo(3,3-c)pyran-2(6H)-one
    • UNII-95X2BV4W8R
    • (+/-)-4-HYDROXY-4H-FURO(3,2-C)PYRAN-2(6H)-ONE
    • BSPBio_002532
    • 4-Hydroxy-4,6-dihydrofuro[4,5-c]pyran-2-one
    • DTXSID2021101
    • KBioGR_001106
    • 95X2BV4W8R
    • Antibiotic Sch 351633
    • MEGxm0_000442
    • PATULIN 13C3
    • Spectrum_000015
    • Spectrum4_000753
    • Q414526
    • KBio3_001752
    • KBio2_005491
    • Clairformin;Patuline;Clavatin
    • 4-hydroxy-4,6-dihydro-2H-furo[3,2-c]pyran-2-one
    • ACon1_002106
    • Acetic acid, (2,4-dihydroxy-2H-pyran-3(6H)-ylidene)-, 3,4-lactone
    • 1ST7008-100A
    • 2,.alpha.-acetic acid, 3,4-lactone
    • 2,4-Dihydroxy-2H-pyran-alpha -acetic acid, 3, 4-lactone
    • 4-Hydroxy-4H-furo[3,2-c]pyran-2(6H)-one, 9CI, 8CI
    • 520 - Patulin
    • 149-29-1
    • DivK1c_000438
    • 1ST7008
    • Acetic acid,4-dihydroxy-2H-pyran-3(6H)-ylidene)-, 3,4-lactone
    • NINDS_000438
    • (2,4-Dihydroxy-2H-pyran-3(6H)-ylidene)acetic acid-3,4-lactone
    • BRN 0149675
    • CCRIS 4940
    • Patulin, reference material
    • Sch-351633
    • 4H-Furo(3,2-c)pyran-2(6H)-one, 4-hydroxy-
    • BS-1260
    • NCGC00095272-04
    • KBioSS_000355
    • NCI60_041782
    • DL-PATULIN
    • NSC 8120
    • FT-0631849
    • Patulin, >=98.0% (HPLC)
    • HMS501F20
    • AKOS015904103
    • PATULIN [IARC]
    • 4,6-dihydro-4-hydroxy-2H-furo[3,2-c]pyran-2-one
    • KBio2_000355
    • DB15586
    • 2H-Pyran-alpha )-acetic acid, 2, 4-dihydroxy-,3,4-lactone
    • Spectrum3_000796
    • Spectrum5_001659
    • PATULIN [HSDB]
    • NSC-32951
    • 2,4-Dihydroxy-2H-pyran-delta-3(6H),alpha-acetic acid-3,4-lactone
    • 4H-Furo[3, 4-hydroxy-
    • SR-05000002238-2
    • 2H-Pyran-delta(3(6H),alpha)-acetic acid, 2,4-dihydroxy-,3,4-lactone
    • 4-hydroxy-4,6-dihydrofuro(3,2-c)pyran-2-one
    • 2HPyrandelta(sup 3(6H),alpha)acetic acid, 2,4dihydroxy, 3,4lactone
    • 4-Hydroxy-4,6-dihydrofuro(4,5-c)pyran-2-one
    • Acetic acid, (2,4dihydroxy2Hpyran3(6H)ylidene), 3,4lactone
    • 2,4Dihydroxy2Hpyrandelta3(6H),alphaacetic acid3,4lactone
    • PATULIN (IARC)
    • (2,4-Dihydroxy-2H-pyran-3(6H)-ylidene)acetate-3,4-lactone
    • 4,6Dihydro4hydroxy2Hfuro(3,2c)pyran2one
    • 2,4-Dihydroxy-2H-pyran-delta-3(6H),alpha-acetic acid, 3,4-lactone
    • (2,4Dihydroxy2Hpyran3(6H)ylidene)acetic acid, 3,4lactone
    • (2,4-Dihydroxy-2H-pyran-3(6H)-ylidene)acetate, 3,4-lactone
    • 4Hydroxy4Hfuro(3,2c)pyran2(6H)one
    • 4-Hydroxy-4H-furo(3,2-c)pyran-2(6H)-one, 9CI, 8CI
    • 2H-Pyran-alpha)-acetic acid, 2, 4-dihydroxy-,3,4-lactone
    • (2,4Dihydroxy2Hpyran3(6H)ylidene)acetic acid3,4lactone
    • 2H-Pyran-alpha)-acetic acid, 2,4-dihydroxy-, 3,4-lactone
    • 4-hydroxy-2H,4H,6H-furo(3,2-c)pyran-2-one
    • DB-042987
    • DTXCID701101
    • SCH351633
    • 2,4-Dihydroxy-2H-pyran-alpha-acetic acid, 3, 4-lactone
    • Patulin
    • MDL: MFCD00005858
    • Inchi: 1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2
    • InChI Key: ZRWPUFFVAOMMNM-UHFFFAOYSA-N
    • SMILES: O1CC=C2C(=CC(=O)O2)C1O

Computed Properties

  • Exact Mass: 154.02700
  • Monoisotopic Mass: 154.02660867g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 264
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -1
  • Topological Polar Surface Area: 55.8

Experimental Properties

  • Color/Form: White rhombohedral crystals. Its structural formula includes gentian violet alcohol and benzoic acid.
  • Density: 1.1993 (rough estimate)
  • Melting Point: 108-111 °C
  • Boiling Point: 197.46°C (rough estimate)
  • Flash Point: Fahrenheit: 35.6 ° f
    Celsius: 2 ° c
  • Refractive Index: 1.4300 (estimate)
  • Solubility: ethyl acetate: soluble50mg/mL
  • PSA: 55.76000
  • LogP: -0.29790
  • Solubility: Soluble in water and general organic solvents ether, acetic acid, ethyl ester, amyl acetate, etc.
  • Merck: 13,7125
  • Specific Rotation: D21 -6.2° (chloroform)
  • Color/Form: 100?μg/mL in acetonitrile

Patulin Security Information

  • Symbol: GHS07 GHS08
  • Signal Word:Warning
  • Hazard Statement: H302,H315,H351,H373
  • Warning Statement: P281
  • Hazardous Material transportation number:UN 3462 6.1/PG 2
  • WGK Germany:3
  • Hazard Category Code: 11-20/21/22-36
  • Safety Instruction: S45-S36/37
  • RTECS:LV2625000
  • Hazardous Material Identification: Xn
  • HazardClass:6.1(a)
  • PackingGroup:I
  • Toxicity:LD50 s.c. in mice: 10-15 mg/kg (Kinosita, Shikata)
  • Storage Condition:?20°C
  • Risk Phrases:R25
  • Packing Group:I
  • Safety Term:6.1(a)
  • Packing Group:I
  • Hazard Level:6.1(a)

Patulin Pricemore >>

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Patulin Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:149-29-1)Patulin
Order Number:A1200742
Stock Status:in Stock
Quantity:5mg/10mg/25mg/1ml
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:43
Price ($):280.0/468.0/952.0/158.0
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:149-29-1)Patulin
Order Number:LE10691
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:03
Price ($):discuss personally

Patulin Related Literature

Recommended suppliers
Amadis Chemical Company Limited
(CAS:149-29-1)Patulin
A1200742
Purity:99%/99%/99%/99%
Quantity:5mg/10mg/25mg/1ml
Price ($):280.0/468.0/952.0/158.0
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:149-29-1)Patulin
LE10691
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email