4-tert-Butylcyclohexyl acetate
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4-tert-Butylcyclohexyl acetate
structure -
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CAS No:
32210-23-4
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Formula:
C12H22O2
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Chemical Name:
4-tert-Butylcyclohexyl acetate
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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
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CAS No:
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
198.3
198.30
250-954-9
JN4PL52AKL|ATR4EHD017
163103
DTXSID1027974
2915390090
Characteristics
26.3
3.15440
Clear, colourless liquid
0.9429 g/cm3 @ Temp: 15 °C
228 - 230ºC
100-105 °C @ Press: 8 Torr
212 °F
n20/D 1.452(lit.)
Store below +30°C.
0.01 mmHg
Oral-rat LD50: 5000 mg/kg
Thermal decomposition emits spicy and irritating smoke
Safety Information
NONH for all modes of transport
2
36/37/38
26-37/39
AF7117000
Xi
Low temperature dry and ventilated warehouse
Stable. Flammable. Incompatible with strong oxidizing agents.
P261-P305 + P351 + P338
H315-H319-H335
|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]
4-tert-Butylcyclohexyl acetate Use and Manufacturing
Mainly used for daily fragrance
Odor agents
Air care products
1,000,000 - 10,000,000 lb
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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