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Methylphenylacetylene

Methylphenylacetylene structure

CAS No:
673-32-5
Formula:
C9H8
Chemical Name:
Methylphenylacetylene
Synonyms:
Benzene,1-propyn-1-yl-;Benzene,(1-propynyl)-;Benzene,1-propynyl-;Propyne,1-phenyl-;Propine,1-phenyl-;1-Propyn-1-ylbenzene;1-Phenylpropyne;Phenylmethylacetylene;1-Phenyl-1-propyne;Methylphenylacetylene;1-Methyl-2-phenylacetylene;1-Propynylbenzene;Methylphenylethyne;3-Phenyl-2-propyne;(2-Methylethynyl)benzene
Categories:
Chemical Reagents > Organic Reagents

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Description

clear yellow liquid

Methylphenylacetylene Basic Attributes

Molecular Weight：

116.16

Exact Mass：

116.16

BRN：

1071474

EC Number：

211-607-7

UNII：

448376BFQC

DSSTox ID：

DTXSID10217667

HScode：

2902909090

Characteristics

PSA：

XLogP3：

Appearance：

Clear yellow Liquid

Density：

0.9409 g/cm³ @ Temp: 20 °C

Boiling Point：

183 °C

Flash Point：

144 °F

Refractive Index：

1.544

Water Solubility：

Sparingly soluble in water (0.26 g/L) (25°C).

Storage Conditions：

Refrigerator (+4°C)

Safety Information

Transport codes：

1993

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

RIDADR：

UN 1993

Caution Statement：

P261; P305 + P351 + P338

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-phenyl-1-propyne

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Method	Comments	Reference
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	Petrocol DH	1038.	temperature ramp	100. m/0.25 mm/0.5 μm, He, 1. K/min; T_start: 30. C; T_end: 220. C	White, C.M.Hackett, J.Anderson, R.R.Kail, S.Spock, P.S.Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxaneJ. Hi. Res. Chromatogr.1992, 15, 2, 105-120.
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	DB-5 MS	1058.	custom temperature program	30. m/0.25 mm/1.0 μm, Helium; Program: not specified	Luo, J.Agnew, M.P.Gas characteristics before and after biofiltration treating odorous emissions from animal rendering processesEnviron. Technol.2001, 22, 9, 1091-1103.
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	Methyl Silicone	1035.	custom temperature program	Program: not specified	Zenkevich, I.G.Calculation of Gas-Chromatographic Retention Indices from Physico-Chemical Constants of Organic CompoundsZ. Anal. Chem.1995, 50, 10, 1048-1056.
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	HP-5	149.7	temperature ramp	30. m/0.3 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 200. C @ 15. min	Shao, X.Wang, G.Sun, Y.Zhang, R.Xie, K.Liu, H.Determination and Characterization of the Pyrolysis Products of Isoprocarb by GC-MSJ. Chromatogr. Sci.2006, 44, 3, 141-147.
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	DB-5	167.6	custom temperature program	Column length: 60. m; Program: not specified	Fuentes, M.J.Font, R.Gomez-Rico, M.F.Martin-Gullon, I.Pyrolysis and combustion of waste lubricant oil from diesel cars: Decomposition and pollutantsJ. Anal. Appl. Pyrolysis2007, 79, 1-2, 215-226.

Computed Properties

Molecular Weight:116.16
XLogP3:3
Rotatable Bond Count:1
Exact Mass:116.062600255
Monoisotopic Mass:116.062600255
Heavy Atom Count:9
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

141259-00-9

141258-98-2

141258-97-1

201230-82-2

141258-99-3

74226-45-2

673-32-5

Suppliers(21)

49846-86-8

Suppliers(4)

75326-41-9

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