Computational Toxicology Research Program

---

Chemical Name: Carbamic acid, cyanomethyl-, ethyl ester
IUPAC Name: ethyl cyano(methyl)carbamate
CAS RN: 60754-24-7
Description: single chemical compound
STRUCTURE Formula: C5H8N2O2
Molecular Weight: 128.1292
SMILES: O=C(N(C)C#N)OCC
Note:

---

---

Chemical Name: 1,6-Hexanediamine, N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-
IUPAC Name: N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CAS RN: 61260-55-7
Description: single chemical compound
STRUCTURE Formula: C24H50N4
Molecular Weight: 394.6806
SMILES: CC(C2)(C)NC(C)(C)CC2NCCCCCCNC1CC(C)(C)NC(C)(C)C1
Note:

---

---

Chemical Name: Terphenyl, hydrogenated
IUPAC Name: 1-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-ylbenzene
CAS RN: 61788-32-7
Description: mixture or formulation
STRUCTURE Formula: C18H22
Molecular Weight: 238.3673
SMILES: C1(C2=CC=C(C3C=CCCC3)C=C2)CC=CCC1
Note: mixture of partially hydrogenated terphenyls, structure shown dicyclohexenebenzene

---

---

Chemical Name: Phenol, styrenated
IUPAC Name: 2,4-divinylphenol
CAS RN: 61788-44-1
Description: mixture or formulation
STRUCTURE Formula: C10H10O
Molecular Weight: 146.1858
SMILES: OC1=C(C=C)C=C(C=C)C=C1
Note: mixture of varying composition of mono- (15%), di-[ 2,4- (15-25%); 2,6- (20-30%)] and tri- (30-40%) vinyl phenol, structure shown 2,4-

---

---

Chemical Name: Amines, hydrogenated tallow alkyl
IUPAC Name:
CAS RN: 61788-45-2
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

---

---

Chemical Name: Amines, coco alkyl
IUPAC Name:
CAS RN: 61788-46-3
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

---

---

Chemical Name: Fatty acids, coco
IUPAC Name:
CAS RN: 61788-47-4
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

---

---

Chemical Name: Fatty acids, coco, Me esters
IUPAC Name:
CAS RN: 61788-59-8
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

---

---

Chemical Name: Fatty acids, tallow, Me esters
IUPAC Name:
CAS RN: 61788-61-2
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

---

---

Chemical Name: Amines, bis(hydrogenated tallow alkyl)methyl
IUPAC Name:
CAS RN: 61788-63-4
Description: mixture or formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

---

---

Chemical Name: Fats and Glyceridic oils, fish, sulfated, sodium salts
IUPAC Name:
CAS RN: 61788-64-5
Description: mixture of formulation
STRUCTURE Formula:
Molecular Weight:
SMILES:
Note:

---