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CAS Number: 3685-22-1
(1s,4s)-4-hydroxycyclohexanecarboxylic acid

Structure

(1s,4s)-4-hydroxycyclohexanecarboxylic acid
Name: (1s,4s)-4-hydroxycyclohexanecarboxylic acid
Synonyms:
General Information
Product Number: 36853221

CAS Registry Number: 3685-22-1

Name:

Cyclohexanecarboxyli​c acid, 4-​hydroxy-​, cis-
cis-​4-​Hydroxycyclohexane-​1-​carboxylic acid; cis-​4-​Hydroxycyclohexaneca​rboxylic acid 

 

Chemical Formula: C7H12O3
Exact Mass: 144.08
Molecular Weight: 144.17
m/z: 144.08 (100.0%), 145.08 (7.8%)

 

InChI: InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
InChIKey: HCFRWBBJISAZNK-UHFFFAOYSA-N
Canonical SMILES : C1CC(CCC1C(=O)O)O

 

Thermal Properties Value Condition Note
Boiling Point 115 °C Press: 8 Torr (1)CAS
Melting Point 150.5-151.0 °C Solv: ethyl acetate (141-78-6) (3)CAS
Melting Point 150-151.5 °C   (4)CAS
Melting Point 127-128 °C Solv: ethyl ether (60-29-7); pentane (109-66-0) (1)CAS
Melting Point 126-128 °C Solv: benzene (71-43-2); pentane (109-66-0) (5)CAS

Specification

98%

References
  1. (1) Noyce, Donald S.; Journal of Organic Chemistry 1961, V26, P2101-2 CAPLUS
  2. (2) Gao, Xianfu; Analytical Chemistry (Washington, DC, United States) 2010, V82(15), P6447-6456 CAPLUS
  3. (3) Hardegger, E.; Helvetica Chimica Acta 1944, V27, P793-800 CAPLUS
  4. (4) Lukes, Rudolf; Chemicke Listy pro Vedu a Prumysl 1955, V49, P717-22 CAPLUS
  5. (5) Noyce, Donald S.; Journal of the American Chemical Society 1957, V79, P3098-102 CAPLUS
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