1-Butynylbenzene

HCID 69328
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Basic information

CAS
622-76-4
Standard SMILES
CCC#Cc1ccccc1
InChIKey
FFFMSANAQQVUJA-UHFFFAOYSA-N
Molecular formula
C10H10
Average molar mass
130.19 g/mol
Monoisotopic mass
130.07825032

Names & identifiers

Preferred name
1-Butynylbenzene
IUPAC
but-1-ynylbenzene
English name
1-Phenyl-1-butyne
Molecular formula
C10H10
Molecular weight
130.19

Names & synonyms

1-Phenyl-1-butyne622-76-41-ButynylbenzeneBenzene, 1-butynyl-1-Butyne, 1-phenyl-1-Ethyl-2-phenylacetyleneEINECS 210-752-3EthylphenylacetylenePhenylethylacetyleneDTXSID30211243RefChem:75287DTXCID30133734
Show more names
C6H5C≡CC2H5but-1-ynyl-benzene1-Butyn-1-ylbenzene1-(1-Butynyl)benzene1-Phenyl-1-butyne>
210-752-3FFFMSANAQQVUJA-UHFFFAOYSA-NInChI=1/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2H2,1Hbut-1-ynylbenzenebut-1-yn-1-ylbenzeneBenzene, 3-butyn-1-yl-MFCD0003994583585-27-7

Database identifiers

CAS
622-76-4
PubChem CID
69328
DTXSID
DTXSID30211243
EC Number
210-752-3
Nikkaji
J79.758H

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1118；1129；1132.8；1132.3

191.4

Physicochemical properties

Boiling point
73 · 73-75 °C/4 mmHg (lit.)
Density
0.916 g/mL · 0.916 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.551(lit.)
Flash point
156 °F · 156 °F
storage temp.
Store at room temperature
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29029090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

Uses1-Phenyl-1-butyne was used to investigate the liquid-phase stereoselective hydrogenation of phenyl alkyl acetylenics at 298K and atmospheric pressure on Pd-supported catalysts.

General Description1-Phenyl-1-butyne is a phenyl alkyl acetylenic compound. It′s reaction with alkali metals (sodium, potassium) in various solvents is reported. Palladium particles incorporated into organophilic montmorillonite catalyzed liquid-phase hydrogenation of 1-phenyl-1-butyne is reported. Copolymerization of C60 and 1-phenyl-1-butyne is reported.

Upstream & downstream products

Downstream products

Suppliers82 total

上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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