499-75-2

Name 5-Isopropyl-2-methylphenol
CAS 499-75-2
EINECS(EC#) 207-889-6
Molecular Formula C10H14O
MDL Number MFCD00002236
Molecular Weight 150.22
MOL File 499-75-2.mol

Chemical Properties

Appearance liquid
Melting point  3-4 °C(lit.)
Boiling point  236-237 °C(lit.)
density  0.976 g/mL at 20 °C(lit.)
vapor pressure  3.09-6.664Pa at 25℃
FEMA  2245
refractive index  n20/D 1.522(lit.)
Fp  224 °F
storage temp.  -20°C
solubility  1.25g/l
form  neat
pka 10.38±0.10(Predicted)
color  Colorless to Light orange to Yellow
Odor at 100.00 %. spice woody camphor thymol
Stability: Stable. Combustible. Incompatible with strong bases, strong oxidizing agents.
biological source synthetic
Odor Type spicy
Water Solubility  Insoluble
JECFA Number 710
Merck  1872
BRN  1860514
Henry's Law Constant 1.5×100 mol/(m3Pa) at 25℃, Martins et al. (2017)
Major Application cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
Cosmetics Ingredients Functions PERFUMING
Cosmetic Ingredient Review (CIR) Carvacrol (499-75-2)
InChI 1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
InChIKey RECUKUPTGUEGMW-UHFFFAOYSA-N
SMILES CC(C)c1ccc(C)c(O)c1
LogP 3.33-3.49
Uses
Carvacrol is a flavoring agent that is a colorless to pale yellow liquid. it has a spicy and pungent odor, resembling thymol. it is insoluble in water and soluble in alcohol and ether. it is a mixture of the isomeric carvacrols (isopropyl o-creols), and is obtained by chemical synthesis. it is also an ingredient of savory, a fragrant herb in nature.
CAS DataBase Reference 499-75-2(CAS DataBase Reference)
NIST Chemistry Reference Phenol, 2-methyl-5-(1-methylethyl)-(499-75-2)
EPA Substance Registry System 499-75-2(EPA Substance)

Safety Data

Symbol(GHS)  Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
GHS05,GHS07,GHS09
Signal word  Danger
Hazard statements  H302-H314-H411
Precautionary statements  P270-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
Hazard Codes  C
Risk Statements 
R22:Harmful if swallowed.
R34:Causes burns.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 3265 8/PG 3
WGK Germany  3
RTECS  FI1225000
TSCA  TSCA listed
REACH Registrations Active
HazardClass  8
PackingGroup  III
HS Code  29071990
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Dam. 1
Skin Corr. 1B
Safety Profile
Poison by ingestion, intravenous, and subcutaneous routes. Moderately toxic by skin contact. A severe skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazardous Substances Data 499-75-2(Hazardous Substances Data)

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