Benzeneacetic acid, 4-ethoxy- (HCID 78631)

Names & identifiers

Preferred name: Benzeneacetic acid, 4-ethoxy-
IUPAC: 2-(4-ethoxyphenyl)acetic acid
English name: 4-ETHOXYPHENYLACETIC ACID
Molecular formula: C10H12O3
Molecular weight: 180.2

Names & synonyms

4-Ethoxyphenylacetic acidBenzeneacetic acid, 4-ethoxy-Pinstatic acidEINECS 225-545-3DTXSID6063648RefChem:562867DTXCID5040673225-545-34919-33-92-(4-ethoxyphenyl)acetic acid(4-ethoxyphenyl)acetic acidp-Ethoxyphenylacetic acid

Show more names

ASISCHEM D13368VITAS-BB TBB000370RARECHEM AL BO 0341P-ETHOXY-A-TOLUIC ACID4-ethoxy-benzeneaceticaci2-(4-ethoxyphenyl)acetate

MFCD000043462-(4-Ethoxyphenyl)ethanoic Acidpara-Ethoxyphenylacetic acidYI6MJV8YN5HCREnamine_0048284-Ethoxybenzeneacetic acip-ethoxyphenyl acetic acid

Database identifiers

CAS: 4919-33-9
PubChem CID: 78631
DTXSID: DTXSID6063648
UNII: MJV8YN5HCR
EC Number: 225-545-3
Nikkaji: J5.200K

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 87 · 87-90 °C(lit.)
Boiling point: 318.5 · 318.5±17.0℃ (760 Torr)
Density: 1.144 · 1.144±0.06 g/cm3 (20 ºC 760 Torr)
refractive index: 1.543 · 1.5430 (estimate)
Flash point: 125.8 · 125.8±14.4℃
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Powder
pka: 4.46 · 4.46±0.10(Predicted)
color: White to beige
BRN: 1103143 · 1103143
InChI: InChI=1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChIKey: ZVVWZNFSMIFGEP-UHFFFAOYSA-N
SMILES: C1(CC(O)=O)=CC=C(OCC)C=C1
CAS DataBase Reference: 4919 · 4919-33-9(CAS DataBase Reference)
EPA Substance Registry System: 4 · Benzeneacetic acid, 4-ethoxy- (4919-33-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 37 · 37/39-26
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29189900 · 29189900

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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 CategoriesAcute Tox. 4 (20%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 29189900
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 37/39-26
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzeneacetic acid, 4-ethoxy-: INACTIVE

Applications

Usesp-Ethoxyphenylacetic acid is an important intermediate in the synthesis of pesticides, pharmaceuticals, and liquid crystal materials, and it is also a widely used fuel additive internationally.