Basic information
- CAS
5736-86-7- Standard SMILES
CCCOc1ccc(C(C)=O)cc1- InChIKey
RTYYKCQJSTZADZ-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 1-(4-Propoxyphenyl)ethan-1-one
- IUPAC
- 1-(4-propoxyphenyl)ethanone
- English name
- 1-(4-Propoxy-phenyl)-ethanone
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
1-(4-propoxyphenyl)ethan-1-oneDTXSID50972869RefChem:426013DTXCID601400332809-444-71-(4-Propoxyphenyl)ethanone5736-86-71-(4-Propoxy-phenyl)-ethanone4'-PropoxyacetophenoneMFCD01922144p-Propoxy-acetophenonNSC91022
Show more names
4-Propyloxyacetophenone1-(4-propyloxyl)ethylone4'-N-PROPYLOXYACETOPHENONEEthanone, 1-(4-propoxyphenyl)-
SCHEMBL14429731-(4-Propoxyphenyl)ethanone #NSC-91022AC-15057NS-01531CS-0453696P2377EN300-07886
Database identifiers
- CAS
5736-86-7- PubChem CID
- 260132
- DTXSID
DTXSID50972869- EC Number
- 809-444-7
- Nikkaji
- J642.574G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 21 °C · 21 °C
- Boiling point
- 111 °C/1mmHg · 111°C/1mmHg(lit.)
- storage temp.
- Store at Room Tem.
- form
- powder to lump
- color
- White to Almost white
- InChI
- 1S/C11H14O2/c1-3-8-13-11-6-4-10(5-7-11)9(2)12/h4-7H,3,8H2,1-2H3
- InChIKey
- RTYYKCQJSTZADZ-UHFFFAOYSA-N
- SMILES
- O=C(C)C(C=C1)=CC=C1OCCC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- WGK Germany
- 3 · WGK 3
- HS Code
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2914.50.3000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers34 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海淖沁生物科技有限公司400-1125320 13774248860 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Related reactions
8 records
Compound notes
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