4-(Dimethylamino)benzoic acid (HCID 12092)

Names & identifiers

Preferred name: 4-(Dimethylamino)benzoic acid
IUPAC: 4-(dimethylamino)benzoic acid
English name: 4-Dimethylaminobenzoic acid
Molecular formula: C9H11NO2
Molecular weight: 165.19

Names & synonyms

4-DIMETHYLAMINOBENZOIC ACID4-(Dimethylamino)benzoic acid619-84-1Benzoic acid, 4-(dimethylamino)-N,N-Dimethyl-p-aminobenzoic acidN,N-Dimethyl-4-aminobenzoic acidBenzoic acid, p-(dimethylamino)-p-Dimethylaminobenzoic acidp-N,N-(Dimethylamino)benzoic acidp-Dimethylamino benzoic acidD1MA908EV0NSC-16596

Show more names

4-Diaminomethylbenzoic acidLR-78Solarchem OAKOS BBS-00003737RARECHEM AL BO 0056-Dimethylaminobenzoicacidp-(dimethylamino)-benzoicaci4-(dimethylamino)-benzoicaci

DTXSID70607084EDMABRefChem:515966para-dimethylaminobenzoic acidDTXCID0043181210-615-8p-(Dimethylamino)benzoic acidMFCD00002537

Database identifiers

CAS: 619-84-1
PubChem CID: 12092
DTXSID: DTXSID7060708
ChEMBL: CHEMBL112322
UNII: D1MA908EV0
EC Number: 210-615-8
Nikkaji: J26.944A

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 160

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Vapor Pressure0.000625 [mmHg]

Physical DescriptionSolid; [Merck Index] Off-white odorless powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 241 · 241-243 °C (dec.)(lit.)
Boiling point: 117 · 117-118 C
Density: 1 · 1,04 g/cm
refractive index: 1 · 1,3715
Flash point: 170 °C · 170 °C
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Crystalline Powder
pka: 6.03 · 6.03, 11.49(at 25℃)
color: White, beige to grayish green
Water Solubility: Insoluble in water.
Merck: 14 · 14,3232
BRN: 386867 · 386867
Stability: Stable. Incompatible with strong oxidizing agents.
Major Application: peptide synthesis
InChI: 1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKey: YDIYEOMDOWUDTJ-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(cc1)C(O)=O
CAS DataBase Reference: 619 · 619-84-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 1 MA908EV0 · D1MA908EV0
NIST Chemistry Reference: 4 · Benzoic acid, 4-(dimethylamino)-(619-84-1)
EPA Substance Registry System: 4 · Benzoic acid, 4-(dimethylamino)- (619-84-1)
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
RTECS: 8735000 · DG8735000
TSCA: TSCA listed
HS Code: 29224995 · 29224995
Storage Class: 13 · 13 - Non Combustible Solids
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 70% (105 of 150) of all reports.

Warning

H315 (30%): Causes skin irritation [Warning Skin corrosion/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 150 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 09-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30830

Benzoic acid, 4-(dimethylamino)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] A mild skin irritant; [Alfa Aesar MSDS] See Padimate O.

Hazard Classes and CategoriesSkin Irrit. 2 (30%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: DG8735000
hs_code: 29224995
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 13 - Non Combustible Solids
Hazard statements: H315-H319
REACH Registrations: Inactive
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Uses & manufacturing

UsesEsters are used as sunscreens; [Merck Index]

General Manufacturing InformationBenzoic acid, 4-(dimethylamino)-: ACTIVE

Applications · 2 items

Uses4-(Dimethylamino)benzoic Acid is a substituted benzoic acid that acts as an inhibitor of ultraviolet mediated damage to skin. 4-(Dimethylamino)benzoic Acid is a biotransformation product of 2-ethylhe xyl 4-(N,N-dimethylamino)benzoate (EDP), a widely used UV filters in sunscreen cosmetics and other cosmetic products.

Uses4-Dimethylaminobenzoic acid a substituted benzoic acid that acts as an inhibitor of ultraviolet mediated damage to skin. It is a biotransformation product of 2-ethylhexyl 4- (N,N-dimethylaminobenzo)benzoate(EDP), a widely used UV filters in sunscreen cosmetics and other cosmetic products.