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CAS Number: 3685-27-6
(1r,4r)-4-(hydroxymethyl)cyclohexanol

Structure

(1r,4r)-4-(hydroxymethyl)cyclohexanol
Name: (1r,4r)-4-(hydroxymethyl)cyclohexanol
Synonyms:
General Information
Product Number: 3685276

CAS Registry Number: 3685-27-6

Name:

Cyclohexanemethanol, 4-​hydroxy-​, trans-
trans-​4-​(Hydroxymethyl)​cyclohexanol 

 

Chemical Formula: C7H14O2
Exact Mass: 130.10
Molecular Weight: 130.18
m/z: 130.10 (100.0%), 131.10 (7.6%)

 

InChI: InChI=1S/C7H14O2/c8-5-6-1-3-7(9)4-2-6/h6-9H,1-5H2
InChIKey: VGRZISGVNOKTQU-UHFFFAOYSA-N
Canonical SMILES : C1CC(CCC1CO)O

 

Thermal Properties Value Condition Note
Melting Point 104 °C   (1)CAS
Melting Point 103 °C Solv: ethyl acetate (141-78-6) (2)CAS
Melting Point 102 °C Solv: acetone (67-64-1) (3)CAS
Melting Point 100-102 °C   (4)CAS

Specification

98%

References
  1. (1) Schneider, Woldemar; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft 1965, V298(4), P226-45 CAPLUS
  2. (2) Owen, L. N.; Journal of the Chemical Society 1949, P326-33 CAPLUS
  3. (3) Pines, Herman; Journal of the American Chemical Society 1954, V76, P771-2 CAPLUS
  4. (4) Henbest, H. B.; Journal of the Chemical Society 1959, P227-36 CAPLUS
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