3,4-Dimethylphenol Structure

3,4-Dimethylphenol

Chemical Properties

Melting point 65-68 °C
Boiling point 227 °C(lit.)
Density  1,138 g/cm3
vapor pressure  0.475-130Pa at 25-66.2℃
FLAVIS Number 04.048 | 3,4-Dimethylphenol
refractive index  1.5442
FEMA  3596 | 3,4-XYLENOL
Flash point 61 °C
storage temp.  Store below +30°C.
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka pK1:10.32 (25°C)
form  Crystalline Powder
color  Off-white to pale cream
Odor DIMETHYLPHENOL slightly smoky and earthy character provides nice roasted notes to seafood, mushroom and coffee flavors.flat dry
Odor Type dry
biological source synthetic
explosive limit 1.4%(V)
Water Solubility  SLIGHTLY SOLUBLE
Merck  14,10082
JECFA Number 708
BRN  1099267
Henry's Law Constant 2.6×101 mol/(m3Pa) at 25℃, Brockbank (2013)
Exposure limits ACGIH: TWA 1 ppm
InChI 1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
InChIKey YCOXTKKNXUZSKD-UHFFFAOYSA-N
SMILES Cc1ccc(O)cc1C
LogP 2.23 at 25℃
Substances Added to Food (formerly EAFUS) 3,4-XYLENOL
CAS DataBase Reference 95-65-8(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 4L479F5JU6
NIST Chemistry Reference Phenol, 3,4-dimethyl-(95-65-8)
EPA Substance Registry System 3,4-Dimethylphenol (95-65-8)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictogramsGHS hazard pictogramsGHS hazard pictograms
Signal wordDanger
Hazard statements H301+H311-H314-H411
Precautionary statements P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes  T,N
Risk Statements  24/25-34-51/53
Safety Statements  26-36/37/39-45-61
RIDADR  UN 2261 6.1/PG 2
WGK Germany  3
RTECS  ZE6300000
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  II
HS Code  29071400
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Aquatic Chronic 2
Eye Dam. 1
Skin Corr. 1B
Hazardous Substances Data 95-65-8(Hazardous Substances Data)
NFPA 704:
2
3 0

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3,4-Dimethylphenol Chemical Properties,Usage,Production

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