EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-tert-butyl-6-methyl phenol
phenol, 2-(1,1-dimethylethyl)-6-methyl-

Supplier Sponsors

Name:2-tert-butyl-6-methylphenol
CAS Number: 2219-82-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:218-734-7
FDA UNII:LT9E3VZD1C
Nikkaji Web:J79.089C
Beilstein Number:1862362
MDL:MFCD00002239
XlogP3:3.60 (est)
Molecular Weight:164.24772000
Formula:C11 H16 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:pale yellow clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96700 @ 25.00 °C.
Refractive Index:1.51900 @ 20.00 °C.
Melting Point: 30.00 to 32.00 °C. @ 760.00 mm Hg
Boiling Point: 230.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.053000 mm/Hg @ 25.00 °C. (est)
Flash Point: 225.00 °F. TCC ( 107.22 °C. )
logP (o/w): 3.773 (est)
Soluble in:
 alcohol
 water, 101.3 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: leathery
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
Substantivity:92 hour(s) at 10.00 % in dipropylene glycol
phenolic leathery medicinal
Odor Description:at 100.00 %. cresol phenolic leather medicinal
Luebke, William tgsc, (2001)
Odor sample from: Sigma-Aldrich
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-tert-Butyl-6-methylphenol 95%
Santa Cruz Biotechnology
For experimental / research use only.
6-tert-Butyl-o-cresol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-tert-Butyl-6-methylphenol 99%
TCI AMERICA
For experimental / research use only.
2-tert-Butyl-6-methylphenol >95.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 34 - Causes burns.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intravenous-mouse LD50 120 mg/kg
BEHAVIORAL: SLEEP
Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for 2-tert-butyl-6-methyl phenol usage levels up to:
  0.0200 % in the fragrance concentrate.
 
Recommendation for 2-tert-butyl-6-methyl phenol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):2219-82-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :16678
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2430
WGK Germany:3
2-tert-butyl-6-methylphenol
Chemidplus:0002219821
RTECS:SK1578200 for cas# 2219-82-1
 
References:
 2-tert-butyl-6-methylphenol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2219-82-1
Pubchem (cid):16678
Pubchem (sid):134983181
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2933.69.6050
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
7-
methyl coumarin replacer
FR
amber
amber
amber furan
FR
ambergris naphthol
FR
alpha-
ambrinol
FL/FR
ambrinol
FR
animal
animal carbolactone
FR
animal specialty
FR
iso
butyl quinoline
FR
iso
butyl quinoline
FR
para-tert-
butyl quinoline
FR
2-iso
butyl quinoline
FR
6-tert-
butyl-meta-cresol
FL/FR
castoreum extract
FL/FR
castoreum liquid
FL/FR
civet absolute
FL/FR
costus valerolactone
FR
para-
cresyl caprylate
FL/FR
para-
cresyl isobutyrate
FL/FR
para-
cresyl phenyl acetate
FL/FR
ethyl 4-methyl salicylate
FL/FR
indolall
FR
indole
FL/FR
indoletal
FR
6-
methyl quinoline
FL/FR
para-
methyl tetrahydroquinoline
FL/FR
piperidine
FL/FR
skatole
FL/FR
1-oxa
spiro-4,7-dodecane
FR
1,2,3,4-
tetrahydroquinoline
FR
balsamic
amyl phenyl acetate
FL/FR
guaiyl butyrate
FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax oil (commiphora erythraea var. glabrescens engle)
FL/FR
opoponax resinoid (balsamodendron kafal)
FR
peru balsam oil
FL/FR
peru balsam resinoid
FL/FR
burnt
amber oil
FR
chocolate
iso
amyl phenyl acetate
FL/FR
dusty
woody furan
FR
earthy
muscogene
FR
ethereal
propyl valerate
FL/FR
fatty
delta-
juniper lactone
FL/FR
floral
alpha-
amyl cinnamyl acetate
FL/FR
cananga oil
FL/FR
cananga oil china
FL/FR
citronellol
FL/FR
para-
cresyl acetate
FL/FR
dimethyl octanol
FL/FR
floral methanol
FR
orris pyridine 25% IPM
FR
prenyl salicylate
FL/FR
rhodinol substitues
FL/FR
rose carbonate
FR
(E)-2,5,9-
trimethyl-4,9-decadien-1-al
FR
fruity
ethyl 3-hydroxyhexanoate
FL/FR
leather propionate
FR
linalyl hexanoate
FL/FR
osmanthus flower absolute
FL/FR
tropical ionone
FL/FR
green
marine specialty
FR
narcissus flower absolute
FR
oakmoss oil
FR
phenoxyacetaldehyde 50% in benzyl alcohol
FR
valerian rhizome oil CO2 extract china
FL/FR
herbal
ajowan seed oil
FL/FR
cananga fruit oil
FR
chamomile octenone
FR
2,10-
epoxypinane
FR
matricaria chamomilla flower oil
FL/FR
petitgrain heptane
FR
saffron indenone
FL/FR
white
thyme oil
FL/FR
thyme oil (thymus zygis gracillis) spain
FL/FR
red
thyme oil spain
FL/FR
thyme undecane
FR
thymol
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
honey
phenyl acetic acid
FL/FR
leathery
castoreum absolute
FL/FR
leather cyclohexanol
FR
marine
marine pyridine
FR
medicinal
2,6-
xylenol
FL/FR
minty
peppermint oil terpenes
FR
musk
(Z)-
ambrettolide
FL/FR
(3alpha,5alpha)-
androst-16-en-3-ol
FR
(Z)-
civet decenone
FL/FR
ethylene dodecanoate
FR
exaltone (Firmenich)
FR
juniper lactone
FL/FR
delta-
muscenone
FR
dextro,laevo-
muscone
FL/FR
musk dimethyl indane
FL/FR
musk lactone
FR
musk nonane
FR
(Z)-
musk pentane
FR
musk specialty
FR
omega-
pentadecalactone
FL/FR
musty
3-
acetyl-2,5-dimethyl furan
FL/FR
nutty
2,3-
dimethyl pyrazine
FL/FR
phenolic
ortho-
cresol
FR
meta-
cresol
FR
para-
cresol
FL/FR
2-
propyl phenol
FL/FR
4-
vinyl phenol
FL/FR
smoky
birch tar oil
FL/FR
cade oil
FR
alpha-
ethoxy-ortho-cresol
FL/FR
spicy
cananga leaf oil
FR
cuminyl alcohol
FL/FR
4-
methyl guaiacol
FL/FR
(E,E)-
piperine
FL/FR
tobacco
para-
cresyl isovalerate
FL/FR
3-
ethyl pyridine
FL/FR
tropical
genet absolute
FL/FR
woody
para-tert-
butyl cyclohexanone
FR
methyl cedryl ketone
FL/FR
patchouli hexanol
FR
spikenard oil
FL/FR
(±)-
tetrahydronootkatone
FL/FR
For Flavor
No flavor group found for these
(Z)-
ambrettolide
FL/FR
amyl phenyl acetate
FL/FR
birch tar oil
FL/FR
6-tert-
butyl-meta-cresol
FL/FR
alpha-
ethoxy-ortho-cresol
FL/FR
ethyl 4-methyl salicylate
FL/FR
linalyl hexanoate
FL/FR
para-
methyl tetrahydroquinoline
FL/FR
piperidine
FL/FR
2-
propyl phenol
FL/FR
propyl valerate
FL/FR
skatole
FL/FR
spikenard oil
FL/FR
(±)-
tetrahydronootkatone
FL/FR
amber
amber
alpha-
ambrinol
FL/FR
animal
castoreum extract
FL/FR
castoreum liquid
FL/FR
civet absolute
FL/FR
para-
cresyl caprylate
FL/FR
indole
FL/FR
6-
methyl quinoline
FL/FR
aromatic
para-
cresyl acetate
FL/FR
para-
cresyl isobutyrate
FL/FR
balsamic
opoponax oil (balsamodendron kafal)
FL/FR
opoponax oil (commiphora erythraea var. glabrescens engle)
FL/FR
peru balsam oil
FL/FR
peru balsam resinoid
FL/FR
berry
rhodinol substitues
FL/FR
burnt
2,6-
xylenol
FL/FR
caramellic
3-
ethyl pyridine
FL/FR
earthy
alpha-
amyl cinnamyl acetate
FL/FR
fatty
dimethyl octanol
FL/FR
delta-
juniper lactone
FL/FR
floral
iso
amyl phenyl acetate
FL/FR
cananga oil
FL/FR
cananga oil china
FL/FR
citronellol
FL/FR
phenyl acetic acid
FL/FR
tropical ionone
FL/FR
fruity
ethyl 3-hydroxyhexanoate
FL/FR
osmanthus flower absolute
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
hay
genet absolute
FL/FR
herbal
ajowan seed oil
FL/FR
matricaria chamomilla flower oil
FL/FR
prenyl salicylate
FL/FR
saffron indenone
FL/FR
white
thyme oil
FL/FR
thyme oil (thymus zygis gracillis) spain
FL/FR
red
thyme oil spain
FL/FR
leathery
castoreum absolute
FL/FR
musk
(Z)-
civet decenone
FL/FR
juniper lactone
FL/FR
dextro,laevo-
muscone
FL/FR
musk dimethyl indane
FL/FR
nutty
3-
acetyl-2,5-dimethyl furan
FL/FR
2,3-
dimethyl pyrazine
FL/FR
phenolic
para-
cresol
FL/FR
para-
cresyl isovalerate
FL/FR
para-
cresyl phenyl acetate
FL/FR
thymol
FL/FR
4-
vinyl phenol
FL/FR
spicy
cuminyl alcohol
FL/FR
(E,E)-
piperine
FL/FR
vanilla
4-
methyl guaiacol
FL/FR
omega-
pentadecalactone
FL/FR
woody
methyl cedryl ketone
FL/FR
 
Potential Uses:
FRcitrus
FRfruit
FRgrapefruit
FRleather
 waxy
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-tert-butyl-2-methylphenol
6-t-butyl-2-methylphenol
6-tert-butyl-2-methylphenol
2-tert-butyl-6-methyl-phenol
2-tert-butyl-6-methylphenol
6-tert-butyl-o-cresol
o-tert-butyl-o-cresol
6-tert-butyl-ortho-cresol
6-(tert-butyl)-2-methylphenol
o-cresol, 6-tert-butyl-
2-(1,1-dimethylethyl)-6-methylphenol
2-methyl-6-tert-butyl phenol
 phenol, 2- (1,1-dimethylethyl)-6-methyl-
 phenol, 2-(1,1-dimethylethyl)-6-methyl-
 phenol, 2-t-butyl-6-methyl-
 phenol, 2-tert-butyl-6-methyl-
 

Articles:

PubMed:Formation of the N-methylpyridinium ether derivative of propofol to improve sensitivity, specificity and reproducibility of its detection in blood by liquid chromatography-mass spectrometry.
PubMed:Glucuronidation of propofol and its analogs by human and rat liver microsomes.
PubMed:Anaerobic biodegradability of alkylphenols and fuel oxygenates in the presence of alternative electron acceptors.
PubMed:Capillary gas chromatographic assay of camphor and m-cresol in dermatological creams.
PubMed:Influence of quinone methide reactivity on the alkylation of thiol and amino groups in proteins: studies utilizing amino acid and peptide models.
PubMed:The enzymatic formation and chemical reactivity of quinone methides correlate with alkylphenol-induced toxicity in rat hepatocytes.
 
Notes:
None found
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