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Verdox

Verdox structure

CAS No:
88-41-5
Formula:
C12H22O2
Chemical Name:
Verdox
Synonyms:
Cyclohexanol,2-(1,1-dimethylethyl)-,1-acetate;Cyclohexanol,2-(1,1-dimethylethyl)-,acetate;Cyclohexanol,2-tert-butyl-,acetate;2-tert-Butylcyclohexanol acetate;2-tert-Butylcyclohexyl acetate;o-tert-Butylcyclohexyl acetate;Verdox;2-(1,1-Dimethylethyl)cyclohexyl acetate;Agrumex HC;2-(1,1-Dimethylethyl)cyclohexyl ethanoate
Categories:
Cosmetic Ingredient > Perfuming

Description

O-TERT-BUTYLCYCLOHEXYL ACETATE exists in cis and trans forms. Pure 2-cistert- butylcyclohexyl acetate is a crystalline solid, with a fruity citrus odor. The commercial product is a colorless liquid and consists of a mixture of cis- and transisomers, which contains 60–95% of the cis-ester. With an increasing percentage of the trans-isomer, the odor becomes more woody and camphory.
The acetate is prepared by esterification of 2-tert-butylcyclohexanol, which is obtained from 2-tert-butylphen

Liquid; OtherSolid

Verdox Basic Attributes

Molecular Weight：

198.3

Exact Mass：

198.30

EC Number：

201-828-7

DSSTox ID：

DTXSID3036105

HScode：

2915390090

Characteristics

PSA：

26.30000

XLogP3：

3.96

Appearance：

Liquid; OtherSolid

Density：

0.9±0.1 g/cm3

Melting Point：

34.95 °C

Boiling Point：

227 °C

Flash Point：

>194 °F

Refractive Index：

1.451

Toxicity：

Oral-rat LD50: 4600 mg/kg

Flammability characteristics：

Thermal decomposition emits spicy and irritating smoke

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

GV8962500

Marks：

Storage features：

Low temperature dry and ventilated warehouse

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|H411 (98.98%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 196 companies from 3 notifications to the ECHA C&L Inventory.|H411 (98.29%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|Aggregated GHS information provided by 2552 companies from 14 notifications to the ECHA C&L Inventory.|Warning|H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]|P201, P202, P260, P261, P271, P273, P281, P304+P340, P308+P313, P312, P314, P391, P403+P233, P405, and P501

Toxicity

Toxicity class：

moderately toxic

Verdox Use and Manufacturing

Uses

Odor agents

Air care products

Production

1,000,000 - 10,000,000 lb

Manufacturing Info：

All other chemical product and preparation manufacturing|Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate, (1R,2R)-rel-: ACTIVE|Air Care|Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate: ACTIVE|Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate, (1R,2S)-rel-: ACTIVE

Use Classification：

Cosmetics -> Solvent

Computed Properties

Molecular Weight:198.30
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:198.161979940
Monoisotopic Mass:198.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:203
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Verdox

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
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