CAS 33689-29-1 Methyl 1-hydroxy-1-cyclopropane carboxylate (HCID 2733178)

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Basic information

CAS: 33689-29-1
Standard SMILES: COC(=O)C1(O)CC1
InChIKey: KPJWVJURYXOHOO-UHFFFAOYSA-N
Molecular formula: C5H8O3
Average molar mass: 116.11 g/mol
Monoisotopic mass: 116.04734412

Names & identifiers

Preferred name: Methyl 1-hydroxy-1-cyclopropane carboxylate
IUPAC: methyl 1-hydroxycyclopropane-1-carboxylate
English name: Methyl 1-hydroxy-1-cyclopropane carboxylate, 90
Molecular formula: C5H8O3
Molecular weight: 116.12

Names & synonyms

METHYL 1-HYDROXY-1-CYCLOPROPANE CARBOXYLATERefChem:812722827-536-533689-29-1methyl 1-hydroxycyclopropanecarboxylatemethyl 1-hydroxycyclopropane-1-carboxylateMETHYL 1-HYDROXY-1-CYCLOPROPANECARBOXYLATEMFCD020938841-Hydroxycyclopropanecarboxylic Acid Methyl EsterMETHYL 1-HYDROXY-1-CYCLOPROPANE CARBOXYLATE, 90Methyl 1-Hydroxycyclopropane-1-carboxylate; Methyl 1-Hydroxycyclopropanecarboxylate;1-Hydroxy-c

Show more names

METHYL 1-HYDROXY-1-CYCLOPROPANEMethyl 1-hydroxy-cyclopropan-carboxylateMETHYL 1-HYDROXY-1-CYCLOPROPANE CARBOXYLMethyl 1-hydroxy-1-cyclopropane carboxylate, 90% 5GR1-hydroxy-Cyclopropanecarboxylic acid methyl ester (8CI 9CI ACI)

1-Hydroxy-cyclopropanecarboxylic acid methyl esterSCHEMBL390361Cyclopropanecarboxylic acid, 1-hydroxy-, methyl esterSCHEMBL1817253SCHEMBL7677113DTXSID00369780KPJWVJURYXOHOO-UHFFFAOYSA-Nmethyl1-hydroxycyclopropanecarboxylate

Database identifiers

CAS: 33689-29-1
PubChem CID: 2733178
DTXSID: DTXSID00369780
EC Number: 827-536-5

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 115

Physicochemical properties

Boiling point: 70 °C/13mmHg · 70°C/13mmHg
Density: 1.346 · 1.346±0.06 g/cm3(Predicted)
Flash point: 17 ℃ · 17℃
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Dichloromethane, Methanol
pka: 13.14 · 13.14±0.20(Predicted)
form: Liquid
color: Clear yellow
InChI: InChI=1S/C5H8O3/c1-8-4(6)5(7)2-3-5/h7H,2-3H2,1H3
InChIKey: KPJWVJURYXOHOO-UHFFFAOYSA-N
SMILES: C1(O)(C(OC)=O)CC1
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 225 · H225
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Risk Statements: 11 · 11

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

ridadr: 3277
hs_code: 29162090
risk_code: 11
Signal word: Danger
Symbol(GHS): GHS02
safety_code: 16
Hazard statements: H225
Precautionary statements: P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501