Benzyl butyl phthalate Structure

Benzyl butyl phthalate

Chemical Properties

Melting point −35 °C (−31 °F; 238 K)
Boiling point 370 °C (698 °F; 643 K)
Density  1.119 g cm−3
vapor density  10.8 (vs air)
Pour Point  -45
vapor pressure  0.16 mm Hg ( 150 °C)
refractive index  1.54
Flash point 213 °C
storage temp.  room temp
solubility  DMSO: 100 mg/mL (320.14 mM)
form  clear liquid
color  Colorless to Light yellow
Specific Gravity 1.1
biological source rabbit
Viscosity 42cs (25C)
Water Solubility  0.000269 g/100 mL
FreezingPoint  -35℃
BRN  2062204
Henry's Law Constant (x 10-6 atmm3/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℃
Toxicology and Carcinogenesis Toxicology and Carcinogenesis Studies of Butyl Benzyl Phthalate (CASRN 85-68-7) in F344 Rats (Feed Studies)
Carcinogenesis Bioassay of Butyl Benzyl Phthalate (CASRN 85-68-7) in F344/N Rats and B6C3F1 Mice (Feed Study)
Substances of Very High Concern (SVHC) Candidate List Benzyl butyl phthalate (BBP) (85-68-7)
REACH Annex XVII Substances List Benzyl butyl phthalate (BBP) (85-68-7)
FDA 21 CFR 175.105; 176.170; 176.180
CAS DataBase Reference 85-68-7(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances BUTYL BENZYL PHTHALATE
EWG's Food Scores 7-10
FDA UNII YPC4PJX59M
Proposition 65 List Butyl Benzyl Phthalate
IARC 3 (Vol. Sup 7, 73) 1999
NIST Chemistry Reference Phthalic acid, benzyl butyl ester(85-68-7)
EPA Substance Registry System Butyl benzyl phthalate (85-68-7)
UNSPSC Code 41116107
NACRES NA.43

Safety

Symbol(GHS) Health Hazard (GHS08)Environment (GHS09)
Signal wordDanger
Hazard statements H360FD-H410
Precautionary statements P202-P273-P280-P308+P313-P391-P405
Hazard Codes  T,N
Risk Statements  61-50/53-62
Safety Statements  53-45-60-61
RIDADR  UN 3082 9/PG 3
WGK Germany  2
RTECS  TH9990000
Autoignition Temperature 450 °F
TSCA  TSCA listed
HazardClass  9
PackingGroup  III
HS Code  2917349000
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).
NFPA 704:
1
1 0

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