Chelist Moleculee

cas:	102-76-1
einecs:	203-051-9
smiles:	CC(=O)OCC(COC(C)=O)OC(C)=O
name:	Glycerol triacetate
MW:	218.2039
formula:	C9H14O6
InChi:
InChiKey:
SMARTS:

Other names
triacetin
1,2,3-Propanetriol, 1,2,3-Triacetate
Glycerol triacetate
Triacetin

Search by similarity

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) = N_A&B/(N_A+N_B-N_A&B) where N_A and N_B are the number of bits set in the bit strings of molecules A and B, respectively, N_A&B is the number of bits that are set in both.

Inventory List where this chemical is present

REACH PRS (143825): ECHA list of pre-registered substances (Regulatory)
REACH REG (19180): Reach Registrations (Regulatory)
ACuteTox (124): Reference chemicals used in the FP6 Integrated Project ACuteTox (EU Research Projects)
TOXCAST PHASE II (534): US EPA ToxCast list - phase II (International Research Projects)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
TOX21 LIST1 (8198): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
ECVAM 3T3NRU CITOTOXICITY (56): Reference chemicals used in the ECVAM validation study of the 3T3 NRU basal cytotoxicity assay to identify non-classified chemicals on the basis of the 2000 mg/kg b.w. threshold. (Method Validation)
JRC Acute Systemic Toxicity (180): The use of computational and in vitro methods for acute systemic toxicity prediction (JRC Projects)