Chelist Moleculee
JRC CODE:JRC-000242
cas:84-66-2
einecs:201-550-6
smiles:CCOC(=O)C1=C(C=CC=C1)C(=O)OCC
name:Diethyl phthalate
MW:222.2372
formula:C12H14O4
InChi:
InChiKey:
SMARTS:
Other names
NSC 8905
Neantine
Palatinol A
Phthalol
Placidol E
Solvanol
Unimoll DA
o-Benzenedicarboxylic acid diethyl ester
o-Bis(ethoxycarbonyl)benzene
1,2-Benzenedicarboxylic acid, 1,2-diethyl ester
1,2-Benzenedicarboxylic acid, diethyl ester (9CI)
Phthalic acid, diethyl ester (6CI,8CI)
Anozol
DEP
Diethyl 1,2-benzenedicarboxylate
Diethyl phthalate
Ethyl phthalate

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

JRC METABOLISM BIOACCUMULATION (94): JRC ADME - Human bioaccumulation potential and human and rat metabolic stability and metabolite identification (JRC Projects)
NICEATM ECVAM 3T3NRU CITOTOXICITY (72): Reference chemicals used in the NICEATM/ECVAM validation study of the Neutral Red Uptake (NRU) basal cytotoxicity assay (Method Validation)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
DGENV EAS (585): DG ENV EDS Database (EU Research Projects)
EDC SIN List 2.0 (22): Substitute It Now List 2.0 (NGO)
REACH REG (14803): Reach Registrations (Regulatory)
ECVAM VAL STUDY ON SKIN IRRITATION (SIVS) (78): Prospective validation study on RhE test methods (EpiSkinTM, EpiDermTM SIT and SkinEthicTM RHE) for skin irritation (Method Validation)