4-(TERT-BUTYL)PHENYLACETYLENE
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4-(TERT-BUTYL)PHENYLACETYLENE
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CAS No:
772-38-3
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Formula:
C12H14
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Chemical Name:
4-(TERT-BUTYL)PHENYLACETYLENE
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Synonyms:
TIMTEC-BB SBB008840;P-T-BUTYLPHENYLACETYLENE;4-(TERT-BUTYL)PHENYLACETYLENE;4-tert-Butylphenylacetylene 5GR;1-(tert-Butyl)-4-ethynylbenzene;4-(tert-BUTYL)PHENYLACETYLENE 95%;4-(TERT-BUTYL)PHENYLACETYLENE,90+%;Benzene, 1-(1,1-diMethylethyl)-4-ethynyl-
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CAS No:
Characteristics
0
3.8
Pale green to khaki-brown liquid
0.877 g/mL at 25 °C(lit.)
70 °C2 mm Hg(lit.)
180 °F
1.528-1.53
Difficult to mix with water.
Safety Information
Ⅲ
9
UN 3082 9/PG 3
3
50/53
36/37-60-61
N,Xi
Irritant
P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501
H315
|Warning|H400 (93.48%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:158.24
XLogP3:3.8
Rotatable Bond Count:2
Exact Mass:158.109550447
Monoisotopic Mass:158.109550447
Heavy Atom Count:12
Complexity:178
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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