Home > Compound List > Compound details
1195-32-0 molecular structure
click picture or here to close

1-methyl-4-(prop-1-en-2-yl)benzene

ChemBase ID: 148213
Molecular Formular: C10H12
Molecular Mass: 132.20228
Monoisotopic Mass: 132.09390038
SMILES and InChIs

SMILES:
Cc1ccc(cc1)C(=C)C
Canonical SMILES:
Cc1ccc(cc1)C(=C)C
InChI:
InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
InChIKey:
MMSLOZQEMPDGPI-UHFFFAOYSA-N

Cite this record

CBID:148213 http://www.chembase.cn/molecule-148213.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-4-(prop-1-en-2-yl)benzene
IUPAC Traditional name
1-methyl-4-(prop-1-en-2-yl)benzene
Synonyms
p,α-Dimethylstyrene
2-(p-Tolyl)propene
2-(4-Methylphenyl)propene
alpha,4-Dimethylstyrene, stab. with 4-tert-butylcatechol
对-α-二甲基苏合香烯
alpha,4-二甲基苯乙烯, 4-叔丁基邻苯二酚作稳定剂
CAS Number
1195-32-0
EC Number
214-795-9
MDL Number
MFCD00036510
PubChem SID
162242390
24901487
PubChem CID
62385
FEMA ID
3144
Council of Europe Number
2260
Flavis Number
1.01

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 62385 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.522764  LogD (pH = 7.4) 3.522764 
Log P 3.522764  Molar Refractivity 45.0675 cm3
Polarizability 17.554958 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-28 °C(lit.) expand Show data source
Boiling Point
186-189 °C(lit.) expand Show data source
186-189°C expand Show data source
Flash Point
143.6 °F expand Show data source
62 °C expand Show data source
63°C(145°F) expand Show data source
Density
0.872 expand Show data source
0.904 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5090 expand Show data source
n20/D 1.535(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% expand Show data source
Grade
Halal expand Show data source
Kosher expand Show data source
NI expand Show data source
Contains
0.10% alpha-tocopherol, synthetic as antioxidant expand Show data source
Linear Formula
CH3C6H4C(CH3)=CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - W314404 external link
Packaging
1 kg in poly bottle
1 sample in glass bottle
25, 100 g in poly bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle