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4-tert-Butylcyclohexyl acetate

4-tert-Butylcyclohexyl acetate structure

CAS No:
32210-23-4
Formula:
C12H22O2
Chemical Name:
4-tert-Butylcyclohexyl acetate
Synonyms:
Cyclohexanol,4-(1,1-dimethylethyl)-,1-acetate;Cyclohexanol,4-tert-butyl-,acetate;Cyclohexanol,4-(1,1-dimethylethyl)-,acetate;p-tert-Butylcyclohexyl acetate;4-tert-Butylcyclohexanol acetate;Vertenex;Oryclone;4-tert-Butylcyclohexyl acetate;NSC 163103;Oryclone special;4-(1,1-Dimethylethyl)cyclohexyl acetate;Verbeniax;Madeflor;PTBCHA;Velvetone;Oryclon extra;Vertopol;Vertinate;Ylanate;p-t-BCHA;para-tert-Butylcyclohexyl acetate;Boisinol A 464D;Dorisyl;Lorysia;104-05-2;449203-66-1
Categories:
Cosmetic Ingredient > Perfuming

Description

4-tert-Butylcyclohexyl acetate exists in cis and trans forms.The trans-isomer has a rich, woody odor, while the odor of the cis-isomer is more intense and more floral. Considerable variations in cis–trans ratios in commercial mixtures have little effect on the physical constants. Therefore, the composition of mixtures should be determined by gas chromatography.
The ester is prepared by catalytic hydrogenation of 4-tert-butylphenol followed by acetylation of the resulting 4-tert-butylcycloh

Liquid

4-tert-Butylcyclohexyl acetate Basic Attributes

Molecular Weight：

198.3

Exact Mass：

198.30

EC Number：

250-954-9

UNII：

JN4PL52AKL|ATR4EHD017

NSC Number：

163103

DSSTox ID：

DTXSID1027974

HScode：

2915390090

Characteristics

PSA：

26.3

XLogP3：

3.15440

Appearance：

Clear, colourless liquid

Density：

0.9429 g/cm³ @ Temp: 15 °C

Melting Point：

228 - 230ºC

Boiling Point：

100-105 °C @ Press: 8 Torr

Flash Point：

212 °F

Refractive Index：

n20/D 1.452(lit.)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.01 mmHg

Toxicity：

Oral-rat LD50: 5000 mg/kg

Flammability characteristics：

Thermal decomposition emits spicy and irritating smoke

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

RTECS Number：

AF7117000

Marks：

Storage features：

Low temperature dry and ventilated warehouse

Stability/Shelf Life：

Stable. Flammable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H317 (78.31%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501|Aggregated GHS information provided by 2568 companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (27.69%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, and P501|Aggregated GHS information provided by 130 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H411 (100%): 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 112 companies from 1 notifications to the ECHA C&L Inventory.|H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

3-tert-butylcyclohexyl acetate

4-tert-Butylcyclohexyl acetate Use and Manufacturing

Uses

Mainly used for daily fragrance

Odor agents

Air care products

Production

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

Manufacturing Info：

All other chemical product and preparation manufacturing|Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate: ACTIVE|Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate, cis-: ACTIVE|Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate, trans-: ACTIVE

Computed Properties

Molecular Weight:198.30
XLogP3:3.4
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:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 32210-23-4

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Cas no. 32210-23-4 4-tert-Butylcyclohexyl acetate 32210-23-4 mainly used for daily chemical essence

CAS No.: 32210-23-4

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Guide of 4-tert-Butylcyclohexyl acetate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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4-tert-Butylcyclohexyl acetate

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