1-(4-Propylphenyl)ethan-1-one

HCID 76236CAS 2932-65-2

Substructure search Find similar structures

Basic information

Standard SMILES: CCCc1ccc(C(C)=O)cc1
InChIKey: ZNBVIYMIVFKTIW-UHFFFAOYSA-N
Molecular formula: C11H14O
Average molar mass: 162.23 g/mol
Monoisotopic mass: 162.10446507

Names & identifiers

Preferred name: 1-(4-Propylphenyl)ethan-1-one
IUPAC: 1-(4-propylphenyl)ethanone
English name: 1-(4-Propylphenyl)ethan-1-one
Molecular formula: C11H14O
Molecular weight: 162.23

Names & synonyms

1-(4-Propylphenyl)ethan-1-oneEthanone, 1-(4-propylphenyl)-EINECS 220-903-5DTXSID50183559NSC 172873RefChem:426015DTXCID40106050220-903-52932-65-21-(4-Propylphenyl)ethanonep-Propylacetophenone4'-Propylacetophenone

Show more names

1-(4-Propylphenyl)TIMTEC-BB SBB007807LABOTEST-BB LT00159020p-n-PropylacetophenoneOf propyl acetophenone

4-n-Propylacetophenone4-Propylacetophenone4'-N-propylacetophenoneMFCD000413591-acetyl-4-propylbenzene4'-n-Propylaceto phenonep-PropylacetophenonNSC172873

Database identifiers

CAS: 2932-65-2
PubChem CID: 76236
DTXSID: DTXSID50183559
EC Number: 220-903-5
Nikkaji: J30.880C

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 143

Physicochemical properties

Boiling point: 123 · 123-125°C (15 mmHg)
Density: 0 · 0,98 g/cm3
refractive index: 1.5225 · 1.5225
Flash point: 251 · 251-252°C
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform, Methanol
form: Clear Colourless Liquid
color: Colorless to Orange to Green
Specific Gravity: 0.98 · 0.98
BRN: 1858604 · 1858604
InChI: InChI=1S/C11H14O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-8H,3-4H2,1-2H3
InChIKey: ZNBVIYMIVFKTIW-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(CCC)C=C1)C
CAS DataBase Reference: 2932 · 2932-65-2(CAS DataBase Reference)
NIST Chemistry Reference: 4 · 4-N-Propylacetophenone(2932-65-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-36/37/38
Safety Statements: 23 · 23-26-36/37/39-24/25
Hazard Note: Irritant
HS Code: 29143990 · 29143990

Safety & regulation

Safety data

hs_code: 29143990
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 23-26-36/37/39-24/25
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications · 3 items

UsesA semivolatile compound found in waste landfill leachates. It is used as an intermediate in the preparation of STN liquid crystals for display devices

Uses1-(4-Propylphenyl)ethan-1-one is a semivolatile compound found in waste landfill leachates , it is used as an intermediate in the preparation of STN liquid crystals for display devices.

UsesIntermediates of Liquid Crystals

Upstream & downstream products

Upstream raw materials

Ethanone, 1-[4-(2-propenyl)phenyl]- (9CI)Ethanone, 1-[4-(1-propenyl)phenyl]- (9CI)Propylboronic acid 1-Eth-1-ynyl-4-propylbenzene 4'-Isopropylacetophenone Propyl acetate 2-PROPYLZINC BROMIDE SOLUTION 0.5M IN T&4'-Bromoacetophenone Acetyl chloride Aluminum chloride Benzene

Downstream products

1-HEPTADECENE 4-Propylphenol Cumene

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

Related reactions

2 records

New reaction record

HRID 443680As productuspto-grants-1981_04

HRID 443681As reactantuspto-grants-1981_04

Linked notes

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