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CAS Number: 621-27-2
3-propylphenol

Structure

3-propylphenol
Name: 3-propylphenol
Synonyms:
General Information
Product Number: 621272
CAS Registry Number:
621-27-2
Name:
Phenol, 3-​propyl-
Phenol, m-​propyl- (6CI,​7CI,​8CI); 3-​Propylphenol; 3-​n-​Propylphenol; NSC 46998; m-​Propylphenol 
 
Chemical Formula: C9H12O
Exact Mass: 136.09
Molecular Weight: 136.19
m/z: 136.09 (100.0%), 137.09 (9.8%)
Elemental Analysis: C, 79.37; H, 8.88; O, 11.75
 
InChI: InChI=1S/C9H12O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7,10H,2,4H2,1H3
InChIKey: MPWGZBWDLMDIHO-UHFFFAOYSA-N
Canonical SMILES : CCCC1=CC(=CC=C1)O
 
Thermal Properties Value Condition Note
Boiling Point 229-231 °C   (1)CAS
Boiling Point 228 °C   (2)SRC
Boiling Point 124-125 °C   (3)CAS
Boiling Point 117-118 °C Press: 12 Torr (4)CAS
Boiling Point 117-118 °C   (3)CAS
Boiling Point 102 °C   (3)CAS
Boiling Point See full text   (5)IC
Boiling Point See full text   (6)CAS
Boiling Point See full text   (7)CAS
Melting Point 26 °C   (2)SRC

Specification

98%

References
  1. (1) Kochetkov, N. K.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1955, P809-16 CAPLUS
  2. (2) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  3. (3) Cousin, Stewart G.; Journal and Proceedings of the Royal Society of New South Wales 1937, V70, P413-27 CAPLUS
  4. (4) Prelog, V.; Helvetica Chimica Acta 1951, V34, P258-64 CAPLUS
  5. (5) House, Herbert O.; Journal of Organic Chemistry 1978, V43(19), P3653-61 CAPLUS
  6. (6) Ujvary, Istvan; Organic Process Research & Development 2003, V7(4), P585-587 CAPLUS
  7. (7) Steele, Barry R.; Tetrahedron Letters 2006, V47(13), P2093-2097 CAPLUS
  8. (8) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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