Basic information
- Standard SMILES
OCC#Cc1ccccc1- InChIKey
NITUNGCLDSFVDL-UHFFFAOYSA-N- Molecular formula
- C9H8O
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.05751488
Names & identifiers
- Preferred name
- 3-Phenyl-2-propyn-1-ol
- IUPAC
- 3-phenylprop-2-yn-1-ol
- English name
- 3-Phenyl-2-propyn-1-ol
- Molecular formula
- C9H8O
- Molecular weight
- 132.16
Names & synonyms
3-Phenyl-2-propyn-1-ol1504-58-12-Propyn-1-ol, 3-phenyl-DTXSID1074543RefChem:504863DTXCID8034877604-740-03-phenylprop-2-yn-1-ol3-Phenylpropargyl Alcohol1-Hydroxymethyl-2-phenylacetylene3-phenyl-prop-2-yn-1-olMFCD00040914
Show more names
3-Phenyl-2-propynol-2-propyn-1-oL3-Phenyl-2-propyn-1-2-phenyl-2-propyn-1-olPHENYLPROPARGYL ALCOHOL3-Phenyl-2-propyne-1-ol
1-Phenyl-1-propyn-3-ol1-(phenyl)-propyn-3-ol1-Phenyl-3-hydroxyprop-1-yneAKOS005216158SY010793EN300-39012O11048AMY15558
Database identifiers
- CAS
1504-58-1- PubChem CID
- 123115
- DTXSID
DTXSID1074543- EC Number
- 604-740-0
- Nikkaji
- J227.787E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Melting point
- 119 · 119-122 °C
- Boiling point
- 129 · 129-130 °C/10 mmHg (lit.)
- Density
- 1.06 g/mL · 1.06 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5850(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Soluble in ether, acetone, benzene, chloroform, ethyl Acetate, methanol.
- pka
- 12.94 · 12.94±0.10(Predicted)
- form
- Liquid
- Specific Gravity
- 1.08 · 1.08
- color
- Clear colorless to yellow
- BRN
- 2040911 · 2040911
- InChI
- 1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8H2
- InChIKey
- NITUNGCLDSFVDL-UHFFFAOYSA-N
- SMILES
- OCC#Cc1ccccc1
- CAS DataBase Reference
- 1504 · 1504-58-1(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · 3-Phenyl-2-propyn-1-ol(1504-58-1)
- EPA Substance Registry System
- 3 · 3-Phenyl-2-propyn-1-ol (1504-58-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29062990 · 29062990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29062990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesAn phenylacetylene derivative with inhibitory effect on nitrification in soil. It has potential bactericidal and fungicidal activity.
Uses3-Phenyl-2-propyn-1-ol is an phenyl acetylene derivative with inhibitory effect on nitrification in soil.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
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Related reactions
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