4-tert-Butylcyclohexanol Structure

4-tert-Butylcyclohexanol

Chemical Properties

Melting point 62-70 °C(lit.)
Boiling point 110-115 °C15 mm Hg(lit.)
Density  2.591
vapor pressure  6-201.38Pa at 25-65℃
refractive index  1.447
Flash point 221 °F
storage temp.  Sealed in dry,Room Temperature
solubility  soluble in Methanol
form  Powder or Granules
pka 15.32±0.40(Predicted)
color  White
Odor at 100.00 %. woody musty patchouli camphor mint leather
Odor Type woody
Water Solubility  <1 g/L (20 ºC)
BRN  1902277
Cosmetics Ingredients Functions PERFUMING
FRAGRANCE
InChI 1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3
InChIKey CCOQPGVQAWPUPE-UHFFFAOYSA-N
SMILES CC(C)(C)C1CCC(O)CC1
LogP 3.23 at 20℃
CAS DataBase Reference 98-52-2(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII K0H1405S9C
NIST Chemistry Reference Cyclohexanol, 4-(1,1-dimethylethyl)-(98-52-2)
EPA Substance Registry System Cyclohexanol, 4-(1,1-dimethylethyl)- (98-52-2)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H319
Precautionary statements P264-P280-P305+P351+P338-P337+P313P
Risk Statements  23/25-33-50/53
Safety Statements  24/25-61-60-45-28-20/21
RIDADR  3256
WGK Germany  1
RTECS  GV8750000
TSCA  TSCA listed
HS Code  29061900
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Toxicity The acute oral LD50 in rats was reported as 4-2 g/kg (3-62-4-87 g/kg)(Denine, 1973). The acute dermal LD50 in rabbits was reported as > 5 g/kg (Denine, 1973).
NFPA 704:
1
1 0

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