101-84-8

Name Diphenyl oxide
CAS 101-84-8
EINECS(EC#) 202-981-2
Molecular Formula C12H10O
MDL Number MFCD00003034
Molecular Weight 170.21
MOL File 101-84-8.mol

Chemical Properties

Appearance clear pale yellowish liquid after melting
Melting point  26 °C
Boiling point  259 °C(lit.)
density  1.073 g/mL at 25 °C(lit.)
vapor density  >5.86 (25 °C, vs air)
vapor pressure  <1 mm Hg ( 20 °C)
FEMA  3667
refractive index  n20/D 1.579(lit.)
Fp  >230 °F
storage temp.  2-8°C
solubility  alcohol: soluble(lit.)
form  Colorless liquid
color  White or Colorless to Almost white or Almost colorless
Specific Gravity 1.073
Odor Weak geranium.
Relative polarity 2.8
biological source synthetic
explosive limit 0.8-1.5%(V)
Odor Threshold 0.1ppm
Odor Type green
Water Solubility  insoluble
FreezingPoint  27℃
Specific Heat Capacity Cp(crystal):1.27255J/(g·K),at 25℃
Thermal Conductivity 0.138 W/(m·K) at 50 ℃
Detection Methods GC
JECFA Number 1255
Merck  14,7288
BRN  1364620
Henry's Law Constant 2.13 at 20 °C (approximate - calculated from water solubility and vapor pressure)
Dielectric constant 3.7(30℃)
Exposure limits NIOSH REL: TWA 1 ppm (7 mg/m3), IDLH 100 ppm; OSHA PEL: TWA 1 ppm; ACGIH TLV: TWA 0.1, STEL 2 ppm (adopted).
Cosmetics Ingredients Functions FRAGRANCE
InChI 1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
InChIKey USIUVYZYUHIAEV-UHFFFAOYSA-N
SMILES O(c1ccccc1)c2ccccc2
LogP 4.21 at 25℃
CAS DataBase Reference 101-84-8(CAS DataBase Reference)
NIST Chemistry Reference Diphenyl ether(101-84-8)
EPA Substance Registry System 101-84-8(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H319-H410
Precautionary statements  P264-P273-P280-P305+P351+P338-P337+P313-P391
Hazard Codes  N,Xi,T
Risk Statements 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin .
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/38:Irritating to eyes and skin .
Safety Statements 
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S57:Use appropriate container to avoid environmental contamination .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
OEB B
OEL TWA: 1 ppm (7 mg/m3)
RIDADR  UN 3077 9/PG 3
WGK Germany  2
RTECS  KN8970000
Autoignition Temperature 610 °C
TSCA  Yes
REACH Registrations Active
HazardClass  9
PackingGroup  III
HS Code  29093000
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 2
Eye Irrit. 2
Safety Profile
Moderately toxic by ingestion. Prolonged exposure damages liver, spleen, kidneys, and thyroid, and upsets gastrointestinal tract. A skin and eye irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. For explosion hazard, see ETHERS. To fight fire, use water, foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes
Hazardous Substances Data 101-84-8(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 2450 mg/kg LD50 dermal Rabbit > 7940 mg/kg
IDLA 100 ppm
IDLH 100 ppm

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

Supplier