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o-sec-Butylphenol

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o-sec-Butylphenol
Names
Preferred IUPAC name 2-(Butan-2-yl)phenol
Other names 2-(1-Methylpropyl)phenol
2-(sec-Butyl)phenol
2-sec-Butylphenol
2-(2-Butyl)phenol
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.001.758 Edit this at Wikidata
PubChem CID
RTECS number
  • SJ8920000
UNII
UN number 3145
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3Key: NGFPWHGISWUQOI-UHFFFAOYSA-N
  • InChI=1/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3Key: NGFPWHGISWUQOI-UHFFFAOYAN
SMILES
  • CCC(C)C1=CC=CC=C1O
Properties
Chemical formula C10H14O
Molar mass 150.221 g·mol
Appearance Colorless to amber-colored liquid or solid
Density 0.97724 g/cm (20 °C)
Melting point 16 °C; 61 °F; 289 K
Boiling point 230 °C (446 °F; 503 K)
Vapor pressure 4.74 Pa (25 °C)
Refractive index (nD) 1.5228 (20 °C)
Hazards
Flash point 107 °C; 225 °F; 380 K
Lethal dose or concentration (LD, LC):
LD50 (median dose) >290 ppm/4 hours (inhalation, rat)

63 mg/kg (intraperitoneal, mouse)
60 mg/kg (intravenous, mouse)
600 mg/kg (oral, guinea pig)
320 mg/kg (oral, rat)
600 mg/kg (skin, guinea pig)
5560 mg/kg (skin, rabbit)

NIOSH (US health exposure limits):
REL (Recommended) 5 ppm (30 mg/m)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

o-sec-Butylphenol is an industrial chemical used in dyeing and as a chemical intermediate. It is synthesized from phenol and 1-butene in an ortho-alkylation reaction. It is corrosive to the eyes, skin, and gastrointestinal tract.

References

  1. ^ Baird, Zachariah Steven; Uusi-Kyyny, Petri; Pokki, Juha-Pekka; Pedegert, Emilie; Alopaeus, Ville (6 Nov 2019). "Vapor Pressures, Densities, and PC-SAFT Parameters for 11 Bio-compounds". International Journal of Thermophysics. 40 (11): 102. doi:10.1007/s10765-019-2570-9.
  2. ^ NIOSH Pocket Guide to Chemical Hazards. "#0084". National Institute for Occupational Safety and Health (NIOSH).
  3. ^ "O-sec-butylphenol". Registry of Toxic Effects of Chemical Substances.
  4. "O-sec-butylphenol". PubChem.
  5. "O-sec-butylphenol". International Chemical Safety Cards.
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