1300-94-3

Name 5-METHYL-2-N-PENTYLPHENOL
CAS 1300-94-3
EINECS(EC#) 215-094-0
Molecular Formula C12H18O
MDL Number MFCD00127710
Molecular Weight 178.27
MOL File 1300-94-3.mol
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Chemical Properties

Appearance Clear or almost clear liquid, or solid crystalline mass, colourless or slightly yellow when freshly prepared. The substance changes colour during storage by darkening and/or discolouration to dark yellow, brownish-yellow or pink.
Melting point  24°C
Boiling point  139°C/15mmHg(lit.)
density  0.9414 (estimate)
refractive index  1.5120 to 1.5160
storage temp.  Inert atmosphere,Room Temperature
solubility  Practically insoluble in water, very soluble in acetone and in ethanol (96 per cent).
form  neat
pka 10.55±0.35(Predicted)
color  Yellow to Dark Orange
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3
InChIKey CKGWFZQGEQJZIL-UHFFFAOYSA-N
SMILES C1(O)=CC(C)=CC=C1CCCCC
Uses
Antiseptic.
EPA Substance Registry System Phenol, 5-methyl-2-pentyl- (1300-94-3)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P301+P312+P330
Hazard Codes  Xn
Risk Statements 
RIDADR  UN 3145 8/PG III
WGK Germany  WGK 3
RTECS  GP3100000
HazardClass  8
PackingGroup  III
HS Code  2907199090
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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