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

pinacol
2,3-butanediol, 2,3-dimethyl-

Sponsors

Name:2,3-dimethylbutane-2,3-diol
CAS Number: 76-09-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:200-933-5
FDA UNII:527QE7I5CO
Nikkaji Web:J4.440G
Beilstein Number:1340501
MDL:MFCD00004462
XlogP3-AA:0.10 (est)
Molecular Weight:118.17598000
Formula:C6 H14 O2
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
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:white to pale yellow solid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 41.00 to 44.00 °C. @ 760.00 mm Hg
Boiling Point: 171.00 to 172.00 °C. @ 739.00 mm Hg
Vapor Pressure:0.375000 mm/Hg @ 25.00 °C. (est)
Flash Point: 171.00 °F. TCC ( 77.22 °C. )
logP (o/w): 0.540
Soluble in:
 alcohol
 water, 3.506e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:medium
Substantivity:400 hour(s) at 100.00 %
woody earthy patchouli warm bready
Odor Description:at 100.00 %. woody earthy patchouli warm bread
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Penta International
PINACOL
Santa Cruz Biotechnology
For experimental / research use only.
Pinacol
Sigma-Aldrich: Aldrich
For experimental / research use only.
Pinacol 98%
Synerzine
Pinacol
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
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 - Wear suitable protective clothing.
 
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:
oral-mouse LD50 3380 mg/kg
BEHAVIORAL: ANTICONVULSANT
Food and Cosmetics Toxicology. Vol. 14, Pg. 841, 1976.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for pinacol usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Recommendation for pinacol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
ClinicalTrials.gov:search
Daily Med:search
EPA Substance Registry Services (TSCA):76-09-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6425
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1325
WGK Germany:2
2,3-dimethylbutane-2,3-diol
Chemidplus:0000076095
RTECS:EK1720000 for cas# 76-09-5
 
References:
 2,3-dimethylbutane-2,3-diol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:76-09-5
Pubchem (cid):6425
Pubchem (sid):134971385
 
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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.39.5000
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
balsamic
iso
bornyl formate
FL/FR
iso
bornyl isobutyrate
FL/FR
dextro-
fenchone
FL/FR
fir needle oil siberia
FL/FR
bready
coffee furanone
FL/FR
furfural
FL/FR
camphoreous
fenchol
FL/FR
laevo-
fenchone
FL/FR
caramellic
maltol
FL/FR
shoyu furanone
FL/FR
toffee furanone
FL/FR
citrus
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-yl acetate
FL/FR
earthy
(-)-alpha-
fenchol
FL/FR
pogostemon cablin leaf extract
FR
fermented
valeraldehyde
FL/FR
floral
bois de rose oil terpeneless
FL/FR
dihydro-alpha-ionone
FL/FR
linalool oxide
FL/FR
bitter
orangeflower concrete morocco
FR
green
iso
cyclocitral (IFF)
FL/FR
galbanum absolute
FL/FR
galbanum oil
FL/FR
lawsonia inermis leaf oil CO2 extract
FR
oakmoss oil
FR
herbal
1-
allyl-2,2,7,7-tetramethyl cycloheptanol
FR
arnica flower absolute
FR
dimethyl cyclormol (IFF)
FR
guava leaf oil cuba
FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
pine hexanol
FR
alpha-
pinene
FL/FR
minty
dextro-
carvone
FL/FR
mossy
oakmoss absolute
FL/FR
musty
2-
acetyl pyrrole
FL/FR
nutty
filbert pyrazine
FL/FR
2,6-
lutidine
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
spicy
caraway seed oleoresin
FL/FR
4-
carvomenthenol
FL/FR
ginger root oil china
FL/FR
terpenic
cypress leaf oil
FR
tropical
patchwood
FR
woody
para-tert-
butyl cyclohexanone
FR
alpha-
cedrene epoxide
FR
cyperus root oil (cyperus scariosus)
FR
cypriol oil (cyperus scariosus)
FR
dihydro-beta-ionone
FL/FR
dihydro-gamma-ionone
FL/FR
dryopteris filix-mas oleoresin
FR
herbal norbornane
FR
delta-
methyl ionone
FL/FR
orris hexanone
FR
patchouli alcohol
FR
patchouli ethanol
FR
patchouli hexanol
FR
terpeneless
patchouli oil
FL/FR
patchouli oil china
FL/FR
pelargonium radula oil
FR
pogostemon cablin leaf oil
FR
beta-
terpineol
FL/FR
3(or 2),4,5-
trimethyl octahydro-4,7-methanoinden-5-ol
FR
1,3,5,7-
undecatetraene
FL/FR
vetiver oil CO2 extract
FL/FR
vetiver oil fractions
FR
vetiver oil haiti
FL/FR
vetiveria zizanioides root oil
FL/FR
woody dodecane
FR
woody epoxide
FR
woody ether
FR
For Flavor
No flavor group found for these
dihydro-gamma-ionone
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-yl acetate
FL/FR
delta-
methyl ionone
FL/FR
beta-
terpineol
FL/FR
1,3,5,7-
undecatetraene
FL/FR
balsamic
balsamic
iso
bornyl isobutyrate
FL/FR
fir needle oil siberia
FL/FR
berry
dihydro-alpha-ionone
FL/FR
brown
furfural
FL/FR
camphoreous
fenchol
FL/FR
(-)-alpha-
fenchol
FL/FR
laevo-
fenchone
FL/FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
caramellic
maltol
FL/FR
shoyu furanone
FL/FR
toffee furanone
FL/FR
cooling
4-
carvomenthenol
FL/FR
dextro-
fenchone
FL/FR
floral
bois de rose oil terpeneless
FL/FR
green
iso
cyclocitral (IFF)
FL/FR
galbanum absolute
FL/FR
galbanum oil
FL/FR
linalool oxide
FL/FR
oakmoss absolute
FL/FR
minty
dextro-
carvone
FL/FR
nutty
2-
acetyl pyrrole
FL/FR
coffee furanone
FL/FR
filbert pyrazine
FL/FR
2,6-
lutidine
FL/FR
roasted
2-
acetyl pyrazine
FL/FR
spicy
caraway seed oleoresin
FL/FR
ginger root oil china
FL/FR
winey
valeraldehyde
FL/FR
woody
iso
bornyl formate
FL/FR
dihydro-beta-ionone
FL/FR
terpeneless
patchouli oil
FL/FR
patchouli oil china
FL/FR
alpha-
pinene
FL/FR
vetiver oil CO2 extract
FL/FR
vetiver oil haiti
FL/FR
vetiveria zizanioides root oil
FL/FR
 
Potential Uses:
FLbread
FRearth
FRincense
FRpatchouli
FRspice
FRwoody
 
Occurrence (nature, food, other):note
 milk skim milk powder
Search PMC Picture
 
Synonyms:
 butane-2,3-diol, 2,3-dimethyl-
2,3-butanediol, 2,3-dimethyl-
2,3-dimethyl butane-2,3-diol
2,3-dimethyl-2,3-butane diol
2,3-dimethyl-2,3-butanediol
2,3-dimethyl-butane-2,3-diol
2,3-dimethylbutane-2,3-diol
 pinacone
 tetramethyl ethylene glycol
1,1,2,2-tetramethyl ethylene glycol
 tetramethylethylene glycol
 
 
Notes:
None found
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