4-Ethoxybenzoic acid

HCID 12093
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Basic information

CAS
619-86-3
Standard SMILES
CCOc1ccc(C(=O)O)cc1
InChIKey
SHSGDXCJYVZFTP-UHFFFAOYSA-N
Molecular formula
C9H10O3
Average molar mass
166.17 g/mol
Monoisotopic mass
166.06299418

Names & identifiers

Preferred name
4-Ethoxybenzoic acid
IUPAC
4-ethoxybenzoic acid
English name
4-Ethoxybenzoic acid
Molecular formula
C9H10O3
Molecular weight
166.17

Names & synonyms

4-ETHOXYBENZOIC ACIDp-Ethoxybenzoic acidBenzoic acid, 4-ethoxy-Benzoic acid, p-ethoxy-UNII-TZR23XEQ7WTZR23XEQ7Wpara-Ethoxybenzoic acidNSC 8705NSC-8705EINECS 210-616-3AI3-20152DTXSID2060709
Show more names
NSC8705ACS 0393AKOS BBB/248AKOS BBS-00003741P-CARBOXYPHENETOLEthoxybenzoic aciRARECHEM AL BO 0060
4-ethoxybenzoate4-Ethoxy-benzoateRefChem:98837Benzoic acid, p-ethoxy-(8CI)DTXCID5043182210-616-3InChI=1/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11SHSGDXCJYVZFTP-UHFFFAOYSA-N

Database identifiers

CAS
619-86-3
PubChem CID
12093
DTXSID
DTXSID2060709
ChEMBL
CHEMBL324769
UNII
TZR23XEQ7W
EC Number
210-616-3
Nikkaji
J26.915H

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Melting point
197 · 197-199 °C(lit.)
Boiling point
254.38 °C · 254.38°C (rough estimate)
Density
1.1708 · 1.1708 (rough estimate)
vapor pressure
0.071 Pa · 0.071Pa at 25℃
refractive index
1.55 · 1.5500 (estimate)
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 46 reports by companies from 6 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

Regulatory Information · 2 items

Chemical: Benzoic acid, 4-ethoxy-

Status: Cease Manufacture Update: 12-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20099

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (95.7%)

Regulatory information

Regulatory Information · 2 items

Chemical: Benzoic acid, 4-ethoxy-

Status: Cease Manufacture Update: 12-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20099

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29189900
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 4-ethoxy-: INACTIVE

Applications

Uses4-Ethoxybenzoic acid was used to prepare highly conducting and flexible few-walled carbon nanotube thin films.

UsesIntermediates of Liquid Crystals

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

20 records
New reaction record

Compound notes

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