CAS 2122-70-5 alpha-Naphthaleneacetic acid, ethyl ester (HCID 62428)

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Basic information

CAS: 2122-70-5
Standard SMILES: CCOC(=O)Cc1cccc2ccccc12
InChIKey: XIDPSKQLXKCVQN-UHFFFAOYSA-N
Molecular formula: C14H14O2
Average molar mass: 214.26 g/mol
Monoisotopic mass: 214.09937969

Names & identifiers

Preferred name: alpha-Naphthaleneacetic acid, ethyl ester
IUPAC: ethyl 2-naphthalen-1-ylacetate
English name: Ethyl 1-naphthaleneacetate
Molecular formula: C14H14O2
Molecular weight: 214.26

Names & synonyms

Ethyl 1-naphthaleneacetate2122-70-5Ethyl 1-naphthylacetate1-Naphthaleneacetic acid, ethyl esterCaswell No. 589AADTXSID3034583alpha-Naphthaleneacetic acid, ethyl ester1-Naphththaleneacetic acid, ethyl ester4OV7F7186VEINECS 218-332-1NSC 74497NSC-74497

Show more names

AKOS AU36-M550naa,ethylesterEthyl 1-naphthaleneaEthyl 1-NaphthylactetateEthyl 2-(1-Naphthyl)acetateETHYL-1-NAPHTHALENE ACETATE1-Naphthylacetate ethyl esterethyl 2-naphthalen-1-ylacetateethyl 2-naphthalen-1-ylethanoate

EPA Pesticide Chemical Code 056008BRN 1106730AI3-02254(1-NAPHTHYL)ACETIC ACID ETHYL ESTERDTXCID1014583NAPHTHALENEACETIC ACID, ETHYL ESTERNAPHTHALENEACETIC ACID ETHYL ESTER, 1-RefChem:555890

Database identifiers

CAS: 2122-70-5
PubChem CID: 62428
DTXSID: DTXSID3034583

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 237

Experimental & physicochemical properties

Melting Point88.5 °C

Physical DescriptionSolid

Physicochemical properties

Melting point: 88.5 °C · 88.5°C
Boiling point: 231 °C · 231 °C / 32mmHg
Density: 1 · 1,11 g/cm3
refractive index: 1.578 · 1.5780-1.5820
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform, Ethyl Acetate
form: Oil
color: Clear Colourless
CAS DataBase Reference: 2122 · 2122-70-5(CAS DataBase Reference)
FDA UNII: 4 OV7F7186V · 4OV7F7186V
EPA Substance Registry System: 1 · Ethyl 1-naphthaleneacetate (2122-70-5)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H412 (50%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAquatic Chronic 3 (50%)

Toxicology

RAIS Toxicity Values · 2 items

0.25

OPP

Safety data

tsca: TSCA listed
rtecs: QJ0948000
hs_code: 2916399090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H412
Precautionary statements: P273-P501

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

Household ProductsInformation on 1 consumer products that contain alpha-Naphthaleneacetic acid, ethyl ester in the following categories is provided:；• Landscaping/Yard

General Manufacturing Information1-Naphthaleneacetic acid, ethyl ester: INACTIVE