Methyl 2-hydroxybut-3-enoate

HCID 545123

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Basic information

CAS: 5837-73-0
Standard SMILES: C=CC(O)C(=O)OC
InChIKey: JBKTVPSFVUFSAO-UHFFFAOYSA-N
Molecular formula: C5H8O3
Average molar mass: 116.11 g/mol
Monoisotopic mass: 116.04734412

Names & identifiers

Preferred name: Methyl 2-hydroxybut-3-enoate
IUPAC: methyl 2-hydroxybut-3-enoate
English name: DL-2-Hydroxy-3-butenoic acid methyl ester
Molecular formula: C5H8O3
Molecular weight: 116.12

Names & synonyms

methyl 2-hydroxybut-3-enoate3-Butenoic acid, 2-hydroxy-, methyl esterJBKTVPSFVUFSAO-UHFFFAOYSA-RefChem:814472831-109-9InChI=1/C5H8O3/c1-3-4(6)5(7)8-2/h3-4,6H,1H2,2H35837-73-0Methyl DL-2-Hydroxy-3-butenoateDL-2-Hydroxy-3-butenoic Acid Methyl EsterMFCD00144164Methyl 2-hydroxy-3-butenoate2-hydroxy-3-butenoic acid methyl ester

Show more names

Cyhalofop-butyl Impurity 8METHYL 2-HYDROXY BUT-3-ENOATEMethylDL-2-Hydroxy-3-butenoate>DL-2-Hydroxy-3-butenoic acid methyl ester2-HYDROXY-3-BUTENOIC ACID METHYL ESTER 96+%

methyl vinyl glycolateSCHEMBL615765SCHEMBL6724896Methyl 2-hydroxy-3-butenoate #DTXSID30337851FAA83773AKOS009158889SB83907

Database identifiers

CAS: 5837-73-0
PubChem CID: 545123
DTXSID: DTXSID30337851
EC Number: 831-109-9
Nikkaji: J2.522.984C

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 97.8

Physicochemical properties

Boiling point: 64 °C · 64°C 10mm
Density: 1 · 1,11 g/cm3
refractive index: 1.437 · 1.4370-1.4420
pka: 12.26 · 12.26±0.20(Predicted)
form: liquid
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 210 · P210-P280-P403+P235-P501
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2918199890 · 2918199890
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H227 (66.7%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.