diethyl phthalate
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IUPAC name :diethyl benzene-1,2-dicarboxylate
InChI :InChI=1/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
InChIKey :FLKPEMZONWLCSK-UHFFFAOYAV
SMILES :CCOC(=O)C1=CC=CC=C1C(=O)OCC
cas number :84-66-2
(EINECS) number :201-550-6
beilstein number :1912500
molar refractivity :59.06 ± 0.3 cm3
parachor :496.5 ± 4.0 cm3
index of refraction :1.507 ± 0.02
surface tension :39.3 ± 3.0 dyne/cm
density :1.121 ± 0.06 g/cm3
polarizability :23.41 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 222.2371600 (IUPAC)
formula :C12 H14 O4
BioActivity Analysis :74519
NMR Predictor :Predict
 
 
export tariff code :2917.39.4000
fda reg :unspecified

Suppliers :
Inoue :DIETHYL PHTHALATE
John D. Walsh :Diethyl Phthalate
Moellhausen :diethyl phthalate
98% min. nature identical kosher
Odor:  practically odourless.
Flavor:  bitter, slightly fruity.
Penta :diethyl phthalate
Sigma-Aldrich-SAFC :Diethyl phthalate
≥99%
Tokyo Chemical Industry :Diethyl Phthalate
>98.0%(GC)
Unitex :UNIPLEX 105
Vigon :Diethyl Phthalate

organoleptics :
odor type :odorless
odor strength :none
odor description :
at 100.00 %.  
odorless
substantivity :400  Hour(s)

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.11500 to 1.11800 @ 25.00 °C.
pounds per gallon - calc. : 9.278 to 9.303
refractive index :1.49900 to 1.50300 @ 20.00 °C.
melting point : -3.00 °C. @ 760.00 mm Hg
boiling point : 172.00 °C. @ 12.00 mm Hg
boiling point : 298.00 to 299.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.00210 mm/Hg @ 25.00 °C.
vapor density :7.7 ( Air = 1 )
flash point : 320.00  °F.  TCC  ( 160.00 °C. )
logP (o/w) : 2.42

safety :
most important hazard(s) :Xn - Harmful.
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 63 - Possible risk of harm to the unborn child.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Human experience : 100 %: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    8600.00  mg/kg
GTPZAB  24(3),25,1980

Intraperitoneal-Rat    5058.00  ul/kg

Oral-Rabbit    1000.00  mg/kg

Oral-Mouse    6172.00  mg/kg

Intraperitoneal-Mouse    2749.00  mg/kg

Oral-Guineapig    8600.00  mg/kg

Dermal Toxicity(LD50) :
  Subcutaneous-Guineapig  3000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for diethyl phthalate usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for diethyl 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
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
WGK Germany :2
 
 
 
 diethyl benzene-1,2-dicarboxylate
(EINECS) number :201-550-6
RTECS :84-66-2
chemidplus :000084662
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :84-66-2
dtp/nci :8905

references :
 diethyl benzene-1,2-dicarboxylate
NIST Chemistry WebBook :212480977
pubchem :149772

Cosmetics :
Cosmetic uses : denaturants
film formers
hair conditioning
masking agents
plasticisers
solvents

other :
CosIng :cosmetic data
Household Products : Search
synonyms :
 anozol
1,2-benzene dicarboxylic acid diethyl ester
ortho-benzene dicarboxylic acid diethyl ester
 diethyl 1,2-benzene dicarboxylate
 diethyl benzene-1,2-dicarboxylate
 diethyl ortho-phenylene diacetate
 diethyl ortho-phthalate
 dpx-f5384
ortho-bis(ethoxycarbonyl) benzene
 neantine
 palatinol A
 phthalol
 placidol E
 solvanol
 unimoll DA

soluble in :
 alcohol
 water, 1080 mg/L @ 25

insoluble in :
 paraffin oil

stability :
 non-discoloring in most media

(odor and/or flavor) blends with :
 deluent

(odor and/or flavor) used in :
 deluent for musks
 denaturants
 film formers
 fixer
 hair conditioning
 olibanum frankincense
 plasticizer for cellulose acetate and cellulose nitrate in nail lacquers
 solvents
 spearmint

natural occurrence in :
not found in nature



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