3-Butenylbenzene

HCID 13033
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Basic information

CAS
768-56-9
Standard SMILES
C=CCCc1ccccc1
InChIKey
PBGVMIDTGGTBFS-UHFFFAOYSA-N
Molecular formula
C10H12
Average molar mass
132.2 g/mol
Monoisotopic mass
132.09390038

Names & identifiers

Preferred name
3-Butenylbenzene
IUPAC
but-3-enylbenzene
English name
4-Phenyl-1-butene
Molecular formula
C10H12
Molecular weight
132.2

Names & synonyms

4-PHENYL-1-BUTENE768-56-93-ButenylbenzeneBenzene, 3-buten-1-yl-3-buten-1-ylbenzeneNSC 65603UNII-58584HOZ1Z58584HOZ1ZNSC-65603DTXSID80227612EC 405-980-7RefChem:93292
Show more names
But-3-en-1-ylbenzene4-Phenylbut-1-enePhenylbutene4-Phenylbutene3-butenyl-benzene4PB-14-phenyl-1-buten3-butenyl-benzen
DTXCID30150103PBGVMIDTGGTBFS-UHFFFAOYSA-Nbut-3-enylbenzeneBenzene, 3-butenyl-1-Phenyl-3-butene1-Butene, 4-phenyl-4-Phenylbutene-1(but-3-en-1-yl)benzene

Database identifiers

CAS
768-56-9
PubChem CID
13033
DTXSID
DTXSID80227612
UNII
58584HOZ1Z
EC Number
405-980-7、626-527-1
Nikkaji
J42.737C

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
3
Heavy atoms
10

Experimental & physicochemical properties

Kovats Retention Index1032；1038.5；1022

Physicochemical properties

Melting point
-70 °C · -70°C
Boiling point
175 · 175-177 °C (lit.)
Density
0.88 g/mL · 0.88 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.507(lit.)
Flash point
140 °F · 140 °F
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Warning

Hazard information

Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/14058
Hazard Classes and Categories · 4 items

Flam. Liq. 3 (60%)；Skin Irrit. 2 (100%)；Aquatic Chronic 2 (100%)

Flam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Aquatic Chronic 2 (100%)

Skin irritation - category 2；Hazardous to the aquatic environment (chronic) - category 2

Skin Irrit. 2；Aquatic Chronic 2

Regulatory information

Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/14058

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
rtecs
EM9000000
ridadr
UN 3295 3/PG 3
hs_code
2902.90.9000
risk_code
38-51/53

Chemistry & industry

Applications · 1 item

Uses4-Phenyl-1-butene can be used as a monomer precursor to synthesize poly(4-phenyl-1-butene) via heterogeneous catalytic-polymerization reaction. It is also utilized to make olefinic copolymers with different substrates, such as 11-bromo-1-undecene, ethylene, and vinylpyrrolidone, etc., for a variety of polymer applications. It can also be used as a reactant to synthesize: (3-Chlorobutyl)benzene via cobalt catalyzed hydrochlorination reaction. Naphthalene by Cu-Pt alloy catalyzed dehydrocyclization reaction.

Upstream & downstream products

Suppliers58 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安徽省大利生物科技有限责任公司15705632007

Related reactions

26 records
New reaction record

Compound notes

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