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CAS Number: 2417-04-1
3,3',5,5'-tetramethyl-[1,1'-biphenyl]-4,4'-diol

Structure

3,3',5,5'-tetramethyl-[1,1'-biphenyl]-4,4'-diol
Name: 3,3',5,5'-tetramethyl-[1,1'-biphenyl]-4,4'-diol
Synonyms:
General Information
Product Number: 2417041

CAS Registry Number 2417-04-1
Name:
[1,?1'-?Biphenyl]?-?4,?4'-?diol, 3,?3',?5,?5'-?tetramethyl-
4,4'-Bi-2,6-xylenol (6CI,7CI)
4,4'-Biphenyldiol, 3,3',5,5'-tetramethyl- (8CI)
2,2',6,6'-Tetramethyl-p,p'-biphenol
2,2',6,6'-Tetramethylbiphenol
3,3',5,5'-Tetramethyl-1,1'-biphenyl-4,4'-diol

 

Chemical Formula: C16H18O2
Exact Mass: 242.13
Molecular Weight: 242.31
m/z: 242.13 (100.0%), 243.13 (17.4%), 244.14 (1.5%)

 

InChI:InChI=1S/C16H18O2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3

InChI Key:YGYPMFPGZQPETF-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=CC(=C1O)C)C2=CC(=C(C(=C2)C)O)C

 

Thermal Properties Value Condition Note
Melting Point 222-223 °C   (7)CAS
Melting Point 221.8 °C   (8)SRC
Melting Point 221 °C   (9)CAS
Melting Point 221 °C   (10)CAS
Melting Point 221 °C Solv: acetic acid (64-19-7) (11)CAS
Melting Point 220-221 °C   (12)CAS

Specification

98%

References
  1. (4) Vakhitova, M. Sh.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1987, (8), P1808-10 CAPLUS
  2. (5) Ogata, Masahiro; Chemical & Pharmaceutical Bulletin 2005, V53(3), P344-346 CAPLUS
  3. (6) Ogata, Masahiro; Biological & Pharmaceutical Bulletin 2005, V28(6), P1120-1122 CAPLUS
  4. (7) Cavill, G. W. K.; Journal of the Chemical Society 1954, P2785-8 CAPLUS
  5. (8) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  6. (9) Seubold, Frank H., Jr.; US 2490282 1949 CAPLUS
  7. (10) Cosgrove, Stanley L.; Journal of the Chemical Society 1951, P388-91 CAPLUS
  8. (11) Moore, R. F.; Journal of the Chemical Society 1954, P243-6 CAPLUS
  9. (12) Baker, Wilson; Journal of the Chemical Society 1961, P3986-9 CAPLUS
  10. (13) Sanyal, S. N.; J. Med. Intern. Med. Abstr. Rev. 1960, V24(No. 140), P15-17 CAPLUS
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