1-Hydroxycyclohexanecarboxylic acid

HCID 219640

Notes Reactions

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Basic information

CAS: 1123-28-0
Standard SMILES: O=C(O)C1(O)CCCCC1
InChIKey: BPOVRAAUERBWFK-UHFFFAOYSA-N
Molecular formula: C7H12O3
Average molar mass: 144.17 g/mol
Monoisotopic mass: 144.07864424

Names & identifiers

Preferred name: 1-Hydroxycyclohexanecarboxylic acid
IUPAC: 1-hydroxycyclohexane-1-carboxylic acid
English name: 1-Hydroxy-cyclohexanecarboxylic acid
Molecular formula: C7H12O3
Molecular weight: 144.17

Names & synonyms

1-Hydroxycyclohexanecarboxylic acid1123-28-0DTXSID00277215RefChem:76029DTXCID50228373BPOVRAAUERBWFK-UHFFFAOYSA-N1-Hydroxy-cyclohexanecarboxylic acid1-hydroxycyclohexane-1-carboxylic acidCyclohexanecarboxylic acid, 1-hydroxy-MFCD000454771-Hydroxy-1-cyclohexanecarboxylic acidNSC-143384

Show more names

1-Hydroxycyclohexenecarboxylic acidCyclohexanecarboxylicacid, 1-hydroxy-1-hydroxy-Cyclohexane carbocylic acid1-hydroxycyclohexanecarboxylic acid(SALTDATA: FREE)

NSC-1182NSC143384STK501074AKOS000119234H104151-Hydroxycyclohexanecarboxylicacid1-hydroxycyclohexane-caSCHEMBL18682

Database identifiers

CAS: 1123-28-0
PubChem CID: 219640
DTXSID: DTXSID00277215
UNII: 6T8T2JM3W6
EC Number: 818-775-6
Nikkaji: J451.354A

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 107 · 107-108 °C
Boiling point: 102 °C · 102 °C(Press: 14 Torr)
Density: 1.263 · 1.263±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.99 · 3.99±0.20(Predicted)
Appearance: White to off-white Solid
FDA UNII: 6 T8T2JM3W6 · 6T8T2JM3W6
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
HazardClass: IRRITANT
HS Code: 2918199890 · 2918199890

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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 CategoriesAcute Tox. 4 (66.7%)

Safety data

hs_code: 2918199890
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications

Uses1-Hydroxycyclohexanecarboxylic Acid is used as a reagent in the synthesis of tetronic acid carboxylate derivatives which have acaricidal acitivity.