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Basic information
- CAS
627-09-8- Standard SMILES
C#CCOC(C)=O- InChIKey
RIZZXCJMFIGMON-UHFFFAOYSA-N- Molecular formula
- C5H6O2
- Average molar mass
- 98.1 g/mol
- Monoisotopic mass
- 98.03677943
Names & identifiers
- Preferred name
- Propargyl acetate
- IUPAC
- prop-2-ynyl acetate
- English name
- PROPARGYL ACETATE
- Molecular formula
- C5H6O2
- Molecular weight
- 98.1
Names & synonyms
Propargyl acetateRefChem:869611628-780-3627-09-8prop-2-ynyl acetateProp-2-yn-1-yl acetate2-Propynyl acetate2-Propyn-1-ol, acetate3-AcetoxypropynepropargylacetatePropargyl alcohol acetateMFCD00041601
Show more names
Propargylacetate,97%Propargyl acetate 98%2-propyn-1-ol,acetate2-propyn-1-yl acetate2-Propyne-1-ol acetate
BRN 1742046Acetic acid propargyl ester1-acetoxy-2-propyneAI3-21789Propargyl acetate, 98%2-Propyn-1-ol, 1-acetate4-02-00-00197 (Beilstein Handbook Reference)AKOS005068092
Database identifiers
- CAS
627-09-8- PubChem CID
- 69388
- DTXSID
DTXSID20211757- UNII
- YLY6UHN3L9
- EC Number
- 628-780-3
- Nikkaji
- J100.707F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 106
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 27 · 27-28 °C(lit.)
- Density
- 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.417(lit.)
- Flash point
- 91 °F · 91 °F
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- form
- Liquid
- color
- Clear colorless
- BRN
- 1742046 · 1742046
- InChI
- InChI=1S/C5H6O2/c1-3-4-7-5(2)6/h1H,4H2,2H3
- InChIKey
- RIZZXCJMFIGMON-UHFFFAOYSA-N
- SMILES
- C(OC(=O)C)C#C
- CAS DataBase Reference
- 627 · 627-09-8
- UNSPSC Code
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- UK5076000
- ridadr
- UN 1992 3/PG 3
- hs_code
- 29153900
- risk_code
- 10-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- Xn
- safety_code
- 16-23-36/37
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H226-H301-H312+H332
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
Chemistry & industry
Applications
UsesPropargyl acetate may be used to synthesize:optically active γ-hydroxy α,β-unsaturated aldehydeshomopropargyl alcoholspoly(propargyl acetate)
Upstream & downstream products
Downstream products
Suppliers68 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
8 records
Compound notes
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