Products Categories
| CAS No.: | 12002-53-8 |
|---|---|
| Name: | TRIMEDLURE |
| Molecular Structure: | |
|
|
|
| Formula: | C12H21ClO2 |
| Molecular Weight: | 232.75 |
| Synonyms: | Cyclohexanecarboxylicacid, 4(or 5)-chloro-2-methyl-, tert-butyl ester (7CI,8CI);Capilure;Polycore;Trimedlure; |
| EINECS: | 234-416-0 |
| Density: | 1.03 g/cm3 |
| Melting Point: | < 25 °C |
| Boiling Point: | 284.2 °C at 760 mmHg |
| Flash Point: | 127.3 °C |
| PSA: | 52.60000 |
| LogP: | 6.74340 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
What can I do for you?
Get Best Price
Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The IUPAC name of t-Butyl-chloro-2-methyl-cyclohexane carboxylate is tert-butyl 4-chloro-2-methylcyclohexane-1-carboxylate. With the CAS registry number 12002-53-8, it is also named as Trimedlure. The product's classification codes are Agricultural Chemical; Insect Attractant, Repellent and Chemosterilant. Besides, it should be stored in ventilated and dry warehouse. In addition, its molecular formula is C12H21ClO2 and molecular weight is 232.75.
The other characteristics of t-Butyl-chloro-2-methyl-cyclohexane carboxylate can be summarized as: (1)EINECS: 234-416-0; (2)ACD/LogP: 3.75; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.75; (5)ACD/LogD (pH 7.4): 3.75; (6)ACD/BCF (pH 5.5): 419.79; (7)ACD/BCF (pH 7.4): 419.79; (8)ACD/KOC (pH 5.5): 2625.23; (9)ACD/KOC (pH 7.4): 2625.23; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 3; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 62.19 cm3; (15)Molar Volume: 225.2 cm3; (16)Surface Tension: 31.9 dyne/cm; (17)Density: 1.03 g/cm3; (18)Flash Point: 127.3 °C; (19)Enthalpy of Vaporization: 52.32 kJ/mol; (20)Boiling Point: 284.2 °C at 760 mmHg; (21)Melting Point: < 25 °C; (22)Vapour Pressure: 0.00302 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: ClC1CC(C(C(=O)OC(C)(C)C)CC1)C
(2)InChI: InChI=1/C12H21ClO2/c1-8-7-9(13)5-6-10(8)11(14)15-12(2,3)4/h8-10H,5-7H2,1-4H3
(3)InChIKey: APMORJJNVZMVQK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C12H21ClO2/c1-8-7-9(13)5-6-10(8)11(14)15-12(2,3)4/h8-10H,5-7H2,1-4H3
(5)Std. InChIKey: APMORJJNVZMVQK-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LDLo | skin | 2025mg/kg (2025mg/kg) | Toxicology and Applied Pharmacology. Vol. 31, Pg. 421, 1975. | |
| rat | LC50 | inhalation | > 2900mg/m3 (2900mg/m3) | Toxicology and Applied Pharmacology. Vol. 31, Pg. 421, 1975. | |
| rat | LD50 | oral | 4556mg/kg (4556mg/kg) | Toxicology and Applied Pharmacology. Vol. 31, Pg. 421, 1975. |