6-tert-butyl-meta-cresol
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Notes :
Blends better than the birch tar.
 
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IUPAC name :2-tert-butyl-5-methylphenol
InChI :InChI=1/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3
InChIKey :XOUQAVYLRNOXDO-UHFFFAOYAI
SMILES :CC1=CC(=C(C=C1)C(C)(C)C)O
cas number :88-60-8
(EINECS) number :201-842-3
beilstein number :1908225
fl. number :04.078
molar refractivity :51.34 ± 0.3 cm3
parachor :407.9 ± 4.0 cm3
index of refraction :1.513 ± 0.02
surface tension :32.5 ± 3.0 dyne/cm
density :0.961 ± 0.06 g/cm3
polarizability :20.35 ± 0.5 10-24cm3
XlogP : 3.70
XlogP3 : 3.60
molecular weight : 164.2441400 (IUPAC)
formula :C11 H16 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Nanjing :2-tert-butyl-5-methylphenol
orders in chinese only.
Pfaltz & Bauer :6-tert-Butyl-3-Methylphenol
97%
Sigma-Aldrich-Aldrich :6-tert-Butyl-meta-cresol
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TCI AMERICA :6-tert-Butyl-m-cresol
>97.0%(GC)
organoleptics :
odor strength :medium ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		russian leather
properties :
appearence :pale yellow clear oily liquid to solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96400 @ 20.00 °C.
refractive index :1.51900 @ 20.00 °C.
melting point : 23.00 to 28.00 °C. @ 760.00 mm Hg
boiling point : 117.00 to 118.00 °C. @ 12.00 mm Hg
boiling point : 242.00 to 244.00 °C. @ 760.00 mm Hg
flash point : 222.00  °F.  TCC  ( 105.56 °C. )
logP (o/w) : 3.97
safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Oral-Mouse    1080.00  mg/kg
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.061 (μg/capita/day)
Structure Class :I
Category :flavor and fragrance agents
 
recommendation for 6-tert-butyl-meta-cresol fragrance usage levels up to :
  0.0100 % in the fragrance concentrate.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
NLM Hazardous Substances Data Bank :search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3145
 
WGK Germany :2
 
 
 
 
2-tert-butyl-5-methylphenol
(EINECS) number :201-842-3
RTECS :SK1578180 for cas# 88-60-8
chemidplus :000088608
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :88-60-8
dtp/nci :48467
references :
 
2-tert-butyl-5-methylphenol
fl. number :04.078
NIST Chemistry WebBook :1268317785
pubchem :149947
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
4-tert-butyl-3-methyl phenol
2-tert-butyl-5-methyl phenol
2-tert-butyl-5-methylphenol
para-tert-butyl-meta-cresol
5-methyl-2-(tert-butyl) phenol
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
4-allyl-2,6-dimethoxyphenolFL
alpha-amyl cinnamyl acetateFL/FR
 benzyl disulfideFL
 betel leaf oilCS
 better than birch tar 
 birch tar oilFL/FR
4-tert-butyl phenolCS
2-isobutyl quinolineFR
isobutyl quinolineFR
isobutyl quinolineFR
 cade oilFR
 cananga oilFL/FR
 cananga oil chinaFL/FR
 castoreum absoluteFL/FR
 chipotle chili oleoresinFL
 citronellolFL/FR
(±)-citronellolFL/FR
 cubeb oilFL/FR
 cuminyl alcoholFL/FR
2,6-dimethoxy-4-vinyl phenolFL
2,6-dimethoxyphenolFL/FR
2,3-dimethyl benzofuranFL
 dimethyl octanolFL/FR
2,3-dimethyl pyrazineFL/FR
3,7-dimethyl-6-octenoic acidFL
alpha-ethoxy-ortho-cresolFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
4-ethyl guaiacolFL/FR
para-ethyl phenolFL
3-ethyl pyridineFL/FR
 floral methanolFR
 furfuryl mercaptanFL/FR
2-furfurylidene butyraldehydeFL
 guaiacolFL/FR
 guaiacyl acetateFL/FR
 leather cyclohexanolFR
 leather propionateFR
 marine pyridineFR
 methyl cedryl ketoneFL/FR
4-methyl guaiacolFL/FR
1-methyl pyrroleFL
6-methyl quinolineFL/FR
2-methyl-1,3-dithiolaneFL
4-methyl-2,6-dimethoxyphenolFL/FR
 oakmoss oilFR
 orris pyridineFR
 osmanthus absoluteFL/FR
 pepper tree berry oilFL/FR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
 phoebe oil brazil 
 prenyl mercaptanFL
 propyl 4-hydroxybenzoateFL/FR
2-propyl phenolFL/FR
 pyroligneous acidsFL/FR
 pyroligneous acids hickoryFL/FR
 saffron indenoneFL/FR
 thyme undecaneFR
 vanillyl ethyl etherFL/FR
2,5-xylenolFL/FR
dextro-xyloseFL
potential uses :
 leather russian leather
natural occurrence in :    note
 milk powder  

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