3-(Diethylamino)phenol

HCID 7062

Basic information

CAS
91-68-9
Standard SMILES
CCN(CC)c1cccc(O)c1
InChIKey
WAVOOWVINKGEHS-UHFFFAOYSA-N
Molecular formula
C10H15NO
Average molar mass
165.23 g/mol
Monoisotopic mass
165.1153641

Names & identifiers

Preferred name
3-(Diethylamino)phenol
IUPAC
3-(diethylamino)phenol
English name
3-Diethylaminophenol
Molecular formula
C10H15NO
Molecular weight
165.23

Names & synonyms

3-(Diethylamino)phenol3-DIETHYLAMINOPHENOLN,N-Diethyl-m-aminophenolPhenol, 3-(diethylamino)-CCRIS 4615DTXSID9025037UNII-BQY98Q7YU5EINECS 202-090-9BQY98Q7YU53-(N,N-diethylamino)phenolm-DiethylaminophenolBRN 0908212
Show more names
DEMAP3-Hydroxy-N,N-diethylanilineDIETHYL META AMINO PHENOLdiethylaminophenolN,N-DIETHYL-3-AMINOPHENOLN,N-Diethyl-3-hydroxyaniline3-DiethyLJACS-91-68-9m-Diethylaniline
RODOL DEMAPAI3-14895NSC-93934m-hydroxy-n,n-diethylanilineDIETHYLAMINOPHENOL, 3-DTXCID205037EC 202-090-94-13-00-00969 (Beilstein Handbook Reference)

Database identifiers

CAS
91-68-9
PubChem CID
7062
DTXSID
DTXSID9025037
ChEMBL
CHEMBL1420719
UNII
BQY98Q7YU5
EC Number
202-090-9
Nikkaji
J134.659H

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
23.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 68.9 °F (NTP, 1992)
Boiling Point529 to 536 °F at 760 mmHg (NTP, 1992)
Melting Point149 to 172 °F (NTP, 1992)
Physical Description · 2 items

3-diethylaminophenol is a black solid. (NTP, 1992)

Black solid; [CAMEO] Crystalline solid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
69 · 69-72 °C (lit.)
Boiling point
170 °C/15 · 170 °C/15 mmHg (lit.)
Density
1.0203 · 1.0203 (rough estimate)
vapor pressure
0.345 Pa · 0.345Pa at 25℃
refractive index
1.482 · 1.4820 (estimate)
Flash point
141 °C · 141 °C

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (72.5%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (26.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (26.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (25.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (71.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 160 reports by companies from 8 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 InformationStatus: Active Update: 30-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12506;Status: Cease Manufacture Update: 07-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11189
DOT LabelPoison
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound may cause irritation on contact. (NTP, 1992)
Hazards Summary · 1 item

Not a skin or eye irritant in rabbits; Not sensitizing in skin painting study of guinea pigs; Methemoglobinemia observed in oral study of cats; [IUCLID] A skin and strong eye irritant; Prolonged or repeated exposure may cause eye injury; [Sigma-Aldrich MSDS]

Reactive GroupAmines, Phosphines, and Pyridines;Phenols and Cresols

Safety & protection

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Isolation and Evacuation · 1 item

Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxicology

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Regulatory information

Regulatory InformationStatus: Active Update: 30-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12506;Status: Cease Manufacture Update: 07-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11189

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
2
tsca
TSCA listed
rtecs
SL0550500
ridadr
UN 2512 6.1/PG 3
hs_code
29222900

Chemistry & industry

Uses & manufacturing

UsesUsed to make dyes; [NTP] Used as a dye intermediate; [ExPub: ECHA REACH Registrations]
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationPhenol, 3-(diethylamino)-: ACTIVE
Applications · 3 items

Uses3-Diethylaminophenol is used as a reagent in the synthesis of coumarin- and rhodamine-fused deep red fluorescent dyes.

Uses3-Diethylaminophenol was used as starting reagent for the synthesis of silyloxyaniline. It was used in the synthesis of Nile Red and its hydroxy-derivative.

General DescriptionBlack solid.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Related reactions

27 records

Compound notes

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