meta-cresol
 
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IUPAC name :3-methylphenol
InChI :InChI=1/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChIKey :RLSSMJSEOOYNOY-UHFFFAOYAJ
SMILES :CC1=CC(=CC=C1)O
(EINECS) number :203-577-9
eu annex :604-004-00-9
cas number :108-39-4
beilstein number :0506719
fema number :3530
coe number :617
jecfa number :692
fl. number :04.026
molar refractivity :32.95 ± 0.3 cm3
parachor :259.9 ± 4.0 cm3
index of refraction :1.545 ± 0.02
surface tension :38.8 ± 3.0 dyne/cm
density :1.038 ± 0.06 g/cm3
polarizability :13.06 ± 0.5 10-24cm3
xlogp : 2.10
molecular weight : 108.1378200
formula :C7 H8 O
BioActivity Analysis :74385
 
 
export tariff code :2907.12.0000
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :m-Cresol
≥98%, Kosher

organoleptics :
odor type :phenolic
odor strength :high ,
recommend smelling in a 0.01 % solution or less
odor description :
at 0.01 % in dipropylene glycol.  
medical woody leather phenolic

properties :
appearence :white to amber liquid to crystals
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.02800 to 1.03300 @ 25.00 °C.
pounds per gallon - calc. : 8.554 to 8.596
refractive index :1.53700 to 1.54300 @ 20.00 °C.
melting point : 11.00 to 12.00 °C. @ 760.00 mm Hg
boiling point : 202.00 to 203.00 °C. @ 760.00 mm Hg
boiling point : 120.00 to 121.00 °C. @ 50.00 mm Hg
logp : 1.96

safety :
most important hazard(s) : T - Toxic.
Oral Toxicity(LD50) : Oral-Rat    242.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  2050.00  mg/kg    
flash point ( Deg. F. ) : 187.00  °F.  TCC  ( 86.11 °C. )
recommendation for meta-cresol usage levels up to :
 not for fragrance use.

safety links :
 
 
(EINECS) number :203-577-9
RTECS :GO6125000 for 108-39-4
chemidplus :000108394
EPA Substance Registry Services :108-39-4
NLM Chemical Carcinogenesis Research Information System :108-39-4
NLM Developmental and Reproductive Toxicity :108-39-4
NLM Env. Mutagen Info. Center :108-39-4
NLM GENetic TOXicology :108-39-4
dtp/nci :8768
EPI System :view

other :

references :
jecfa number :692
fl. number :04.026
pubchem :151039
synonyms :
3-cresol
meta-cresol
meta-cresylic acid
1-hydroxy-3-methyl benzene
3-hydroxytoluene
3-methyl phenol
meta-methyl phenol
1-methyl-3-hydroxybenzene

soluble in :
 alcohol
 water, 22700 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) used in :
 antimicrobials
 castoreum
 myrrh

natural occurrence in :
coal tar
data pagejasmin absolute china @ 2.33%
myrrh oil
data pageosmanthus absolute @ trace%
data pageprangos uechtritzii boiss. et hausskn. fruit oil turkey @ 1.40%



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Html Last modified 11/23/2008