3,4-dihydro-2H-pyran-4-one

HCID 566735
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Basic information

CAS
84302-42-1
Standard SMILES
O=C1C=COCC1
InChIKey
ZCSOJXHICDKYJO-UHFFFAOYSA-N
Molecular formula
C5H6O2
Average molar mass
98.1 g/mol
Monoisotopic mass
98.03677943

Names & identifiers

Preferred name
3,4-dihydro-2H-pyran-4-one
IUPAC
2,3-dihydropyran-4-one
English name
2H-Pyran-4(3H)-one
Molecular formula
C5H6O2
Molecular weight
98.1

Names & synonyms

3,4-Dihydro-2h-pyran-4-oneRefChem:486151866-529-12,3-Dihydro-4H-pyran-4-one84302-42-12H-Pyran-4(3H)-one2,3-dihydropyran-4-one4H-Pyran-4-one, 2,3-dihydro-2,3-Dihydro-4-pyranone2,3-dihydro-pyran-4-onePF34W8HR7U4-Pyranone, 2,3-dihydro-
Show more names
UNII-PF34W8HR7U2H-pyran-4(3 H)-oneSCHEMBL319178SCHEMBL1646639SCHEMBL2969964DTXSID203407182,3-Dihydro-4H-pyran-4-one #AKOS016008864

Database identifiers

CAS
84302-42-1
PubChem CID
566735
DTXSID
DTXSID20340718
UNII
PF34W8HR7U
EC Number
866-529-1
Nikkaji
J329.038G

Properties

Computed structural properties

XLogP
0
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
7

Physicochemical properties

Boiling point
88 · 88-92 °C(Press: 16 Torr)
Density
1.123 · 1.123±0.06 g/cm3(Predicted)
InChI
InChI=1S/C5H6O2/c6-5-1-3-7-4-2-5/h1,3H,2,4H2
InChIKey
ZCSOJXHICDKYJO-UHFFFAOYSA-N
SMILES
C1OC=CC(=O)C1
FDA UNII
34 W8HR7U · PF34W8HR7U

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H335-H315-H319
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Upstream & downstream products

Suppliers13 total

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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