Basic information
- CAS
673-32-5- Standard SMILES
CC#Cc1ccccc1- InChIKey
GHUURDQYRGVEHX-UHFFFAOYSA-N- Molecular formula
- C9H8
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.06260026
Names & identifiers
- Preferred name
- Methylphenylacetylene
- IUPAC
- prop-1-ynylbenzene
- English name
- 1-Phenyl-1-propyne
- Molecular formula
- C9H8
- Molecular weight
- 116.16
Names & synonyms
1-Phenyl-1-propyne673-32-5Methylphenylacetylene448376BFQCDTXSID10217667RefChem:435501DTXCID60140158211-607-7Prop-1-yn-1-ylbenzeneProp-1-ynylbenzeneBenzene, 1-propynyl-1-Phenylpropyne
Show more names
3-Phenyl-2-propynePhenylmethylacetylene1-PHENYLPROPYNE-1Methylphenylethyne
1-PropynylbenzeneMFCD000092721-Methyl-2-phenylacetyleneProp-1-ynyl-benzenephenylpropyneBenzene, 2-propyn-1-yl-1-penyl-1-propine(prop-1-yn-1-yl)benzene
Database identifiers
- CAS
673-32-5- PubChem CID
- 69601
- DTXSID
DTXSID10217667- ChEMBL
CHEMBL105998- UNII
- 448376BFQC
- EC Number
- 211-607-7
- Nikkaji
- J101.015H、J2.159.285D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 127
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Hydrocarbons
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 185 °C · 185 °C (lit.)
- Density
- 0.928 g/mL · 0.928 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.564(lit.)
- Flash point
- 144 °F · 144 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- Specific Gravity
- 0.939 · 0.939
- color
- Clear yellow
- Water Solubility
- Sparingly soluble in water (0.26 g/L) (25°C).
- BRN
- 1071474 · 1071474
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Phenylacetylene.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 1993
- hs_code
- 29029090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses1-Phenyl-1-propyne is used as a intermediate for phrama industry and chemical research.
General DescriptionCo-catalyzed reaction between cyclopentene and 1-phenyl-1-propyne has been reported. Bonding properties of 1-phenyl-1-propyne on Cu(111) at 100K have been studied using temperature-programmed desorption and X-ray, ultraviolet and two-photon photoemission spectroscopies. 1-Phenyl-1-propyne is an inhibitor of dopamine beta-hydroxylase. Polymerization of 1-phenyl-1-propyne by TaCl5 and NbCl5 has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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]
Related reactions
26 records
Compound notes
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