dibutyl phthalate
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IUPAC name :dibutyl benzene-1,2-dicarboxylate
InChI :InChI=1/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKey :DOIRQSBPFJWKBE-UHFFFAOYAM
SMILES :CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
cas number :84-74-2
(EINECS) number :201-557-4
eu annex :84-74-2
beilstein number :1914064
molar refractivity :77.59 ± 0.3 cm3
parachor :655.6 ± 4.0 cm3
index of refraction :1.499 ± 0.02
surface tension :37.9 ± 3.0 dyne/cm
density :1.053 ± 0.06 g/cm3
polarizability :30.76 ± 0.5 10-24cm3
XlogP : 4.60
molecular weight : 278.3434800
formula :C16 H22 O4
BioActivity Analysis :17389633
 
 
export tariff code :2917.31.0000
fda reg :unspecified

Suppliers :
Inoue :DIBUTYL PHTHALATE
Penta :dibutyl phthalate
Tokyo Chemical Industry :Dibutyl Phthalate
>97.0%(GC)

organoleptics :
odor strength :low
odor description :
at 100.00 %.  
faint odor

properties :
appearence :colorless clear oily liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.04900 to 1.05300 @ 15.50 °C.
pounds per gallon - calc. : 8.729 to 8.762
melting point : -35.00 °C. @ 760.00 mm Hg
boiling point : 337.00 to 340.00 °C. @ 760.00 mm Hg
vapor pressure :1.00000 mm/Hg @ 147.00 °C.
vapor density :9.6 ( Air = 1 )
flash point : 340.00  °F.  TCC  ( 171.11 °C. )
logP (o/w) : 4.50

safety :
most important hazard(s) :T N - Toxic, Dangerous for the environment.
  R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R 61 - May cause harm to the unborn child.
R 62 - Possible risk of impaired fertility.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
S 53 - Avoid exposure - obtain special instructions before use.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Oral Toxicity(LD50) :
  Oral-Rat    7499.00  mg/kg

Intraperitoneal-Rat    >8000.00  mg/kg

Oral-Mouse    3474.00  mg/kg

intravenous-Mouse    720.00  mg/kg

Intraperitoneal-Mouse    3570.00  mg/kg

Oral-Guineapig    10000.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >20.00  ml/kg

Inhalation Toxicity(LC50) :
  Inhalation-Rat  4250.00  mg/m3
  
Inhalation-Mouse  25000.00  mg/m3/2H
  
 

safety in use :
 
recommendation for dibutyl phthalate usage levels up to :
 not for fragrance use.
recommendation for dibutyl phthalate usage levels up to :
 not for flavor use.

safety references :
EPI System :view
EPA-Iris :IRIS
NIOSH International Chemical Safety Cards :search
NIOSH Pocket Guide :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
SCCNFP :opinion
WISER :UN 3082
 
WGK Germany :2
 
 
 
 dibutyl benzene-1,2-dicarboxylate
(EINECS) number :201-557-4
RTECS :84-74-2
chemidplus :000084742
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :84-74-2
dtp/nci :6370

references :
 dibutyl benzene-1,2-dicarboxylate
NIST Chemistry WebBook :2053161445
pubchem :149777

Cosmetics :
Cosmetic uses : not used anymore

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Household Products : Search
synonyms :
ortho-benzene dicarboxylic acid dibutyl ester
 celluflex DPB
 dibutyl 1,2-benzene dicarboxylate
 dibutyl benzene-1,2-dicarboxylate
 elaol
 genoplast B
 palatinol C
 vestinol C
 witcizer 300

soluble in :
 alcohol
 solvents
 water, 11.2 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) used in :
 fixer
 insecticide

natural occurrence in :
data pagecalamus leaf oil @ 0.40%
data pagecalamus root oil @ 0.15%
data pagecassie absolute @ 0.02%
data pageosmanthus absolute @ 0.39%
data pagerue oil china @ 0.25%



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