85-68-7

Name Butyl benzyl phthalate
CAS 85-68-7
EINECS(EC#) 201-622-7
Molecular Formula C19H20O4
MDL Number MFCD00009440
Molecular Weight 312.36
MOL File 85-68-7.mol

Chemical Properties

Appearance Butyl benzyl phthalate is a clear, oily liquid with a slight odor.
Melting point  <-35°C
Boiling point  370°C
density  1.1 g/mL at 25 °C(lit.)
Pour Point  -45
vapor density  10.8 (vs air)
vapor pressure  0.16 mm Hg ( 150 °C)
refractive index  n20/D 1.54(lit.)
Fp  >230 °F
storage temp.  room temp
solubility  DMSO: 100 mg/mL (320.14 mM)
form  Oily Liquid
color  Clear
Specific Gravity 1.1
biological source rabbit
Water Solubility  0.000269 g/100 mL
FreezingPoint  -35℃
BRN  2062204
Henry's Law Constant (x 10-6 atm?m3/mol): 1.3 at 25 °C (calculated, Howard, 1989)
Major Application cleaning products
cosmetics
environmental
food and beverages
personal care
Cosmetics Ingredients Functions PLASTICISER
Cosmetic Ingredient Review (CIR) Benzyl butyl phthalate (85-68-7)
InChI 1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
InChIKey IRIAEXORFWYRCZ-UHFFFAOYSA-N
SMILES CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2
LogP 4.84 at 20℃
CAS DataBase Reference 85-68-7(CAS DataBase Reference)
IARC 3 (Vol. Sup 7, 73) 1999
NIST Chemistry Reference Phthalic acid, benzyl butyl ester(85-68-7)
EPA Substance Registry System 85-68-7(EPA Substance)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)Environment (GHS09)
GHS08,GHS09
Signal word  Danger
Hazard statements  H360FD-H410
Precautionary statements  P202-P273-P280-P308+P313-P391-P405
Hazard Codes  T,N
Risk Statements 
R61:May cause harm to the unborn child.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R62:Possible risk of impaired fertility.
Safety Statements 
S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
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 .
RIDADR  UN 3082 9/PG 3
WGK Germany  2
RTECS  TH9990000
Autoignition Temperature 450 °F
TSCA  Yes
REACH Registrations Active
HazardClass  9
PackingGroup  III
HS Code  29173400
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Repr. 1B
Hazardous Substances Data 85-68-7(Hazardous Substances Data)
Toxicity
Acute oral LD50 for guinea pigs 13,750 mg/kg, mice 4,170 mg/kg, rats 2,330 mg/kg (quoted, RTECS, 1985).

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

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