쿠마린 1

4-Methyl-7-diethylaminocoumarin

HCID 7050CAS 61968-71-6

기본 정보

표준 SMILES
CCN(CC)c1ccc2c(C)cc(=O)oc2c1
InChIKey
AFYCEAFSNDLKSX-UHFFFAOYSA-N
분자식
C14H17NO2
평균 분자량
231.29 g/mol
단동위원소 질량
231.12592878

개요

7-diethylamino-4-methylcoumarin is a light tan grains. Gives bright blue-white fluorescence in very dilute solutions. (NTP, 1992)

이름 및 식별자

우선 이름
4-Methyl-7-diethylaminocoumarin
IUPAC
7-(diethylamino)-4-methylchromen-2-one
현지명
쿠마린 1
영어명
7-Diethylamino-4-methylcoumarin
분자식
C14H17NO2
분자량
231.29

이름 및 동의어

4-Methyl-7-diethylaminocoumarinRefChem:5463187-DIETHYLAMINO-4-METHYLCOUMARIN91-44-1Coumarin 17-(Diethylamino)-4-methyl-2H-chromen-2-oneCoumarin 47Coumarin 4607-(Diethylamino)-4-methylcoumarin4-Methyl-7-(diethylamino)coumarin2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-Calcofluor White SD
이름 더 보기
쿠마린1쿠마린1다이에틸아미노메틸쿠마린7-디에틸아미노-4-메틸쿠마린Fluorescent Brightener 140blancophorffgFluorescent Brightener 52hakkolpcoumarin460
Blancophor AWBlancophor FFGHakkol PUvitex WGSMDAC)DiethylaminomethylcoumarinCalcofluor White RWCoumarin, 7-(diethylamino)-4-methyl-

데이터베이스 식별자

CAS
61968-71-6、91-44-1
PubChem CID
7050
DTXSID
DTXSID9025035
ChEMBL
CHEMBL315348
ChEBI
CHEBI:51938
UNII
1SFJ7F6R2C
EC Number
202-068-9、612-902-7
Nikkaji
J48.490C

물성

구조 계산 물성

XLogP
3.1
극성 표면적
29.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
17

실험 및 물리화학적 성질

Chemical ClassesDyes -> Coumarin Dyes
CosmeticsStabilizing
SpringerMaterials PropertiesAngular frequency
Color/Form · 2건

CRYSTALS FROM ALCOHOL & BENZENE-PETROLEUM ETHER

GRANULAR; LIGHT-TAN COLOR

Solubility · 3건

Slightly soluble in hot solvent (NTP, 1992)

SLIGHTLY SOL IN HOT WATER; SOL IN ALC, ETHER, ACETONE, ORDINARY ORGANIC SOLVENTS

SOL IN AQ ACID SOLN, RESINS, VARNISHES, VINYLS; SLIGHTLY SOL IN ALIPHATIC HYDROCARBONS

Melting Point · 2건

154 to 162 °F (NTP, 1992)

89 °C

물리화학적 성질

녹는점
72 · 72-75 °C (lit.)
끓는 점
240 °C · 240 °C / 6.5mmHg
밀도
1.122 · 1.122
증기압
0 · 0-0.003Pa at 20-25℃
굴절률
1.53 · 1.5300 (estimate)
인화점
152 °C · 152°C

화학적 성질

light tan powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 28.7% (222 of 773) of reports.

Warning

H312 (60.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, 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 773 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-

Status: Active Update: 28-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/18846

2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Coumarins: Human health tier II assessment
Hazards SummaryEmergency treatment: Irritants; [HSDB] Causes somnolence and ataxia in oral lethal-dose studies of mice; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Coumarin.
Reactive GroupAmines, Phosphines, and Pyridines
Special Reports · 1건

TOXICOLOGICAL REVIEW OF PHOTOTOXICITY, DERMAL & MEMBRANE IRRITATION CAUSED BY COUMARIN.[GLOXHUBER C, BLOCHING H; TOXICOLOGIC PROPERTIES OF FLUORESCENT WHITENING AGENTS; WINEK CL & SHANOR SP (ED), TOXICOLOGY ANNUAL, VOL 3. NY: MARCEL DEKKER, INC, 1979, PP 171-203]

Reactivity Profile · 1건

7-DIETHYLAMINO-4-METHYLCOUMARIN is a lactone (behaves as an ester) and an amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

안전 및 보호

First Aid · 1건

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.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol 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 ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

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)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
GN6370000
독성
LD50 oral in rat: 5gm/kg
HS 번호
29322090
risk_code
36/37/38-20/21

화학 및 산업

용도 및 제조

Uses · 4건

Used as an optical brightener (textile, detergent, plastics, and varnish/lacquer industries) and as an invisible marking agent; Also used in coatings (paper, labels, and book covers) and as a laser dye; [HSDB] Coumarins are used as fluorescent dyes and also as laser dyes. Fluorescent dyes not only absorb light; they also emit light to produce very bright colors. They are used to dye textile fibers, plastics, inks, and to make pigments for paints and lacquers. [Ullmann: Laser Dyes; Fluorescent Dyes; Disperse Dyes]

Pulp and Paper Processing [Category: Industry]

OPTICAL BLEACH IN TEXTILE INDUSTRY; IN COATINGS FOR PAPER, LABELS, BOOK COVERS, ETC; INVISIBLE MARKING AGENT; TO LIGHTEN PLASTICS, RESINS, VARNISHES & LACQUERS

OPTICAL BRIGHTENER IN TEXTILE AND DETERGENT INDUSTRIES; LASER DYE

U.S. Exports · 2건

(1977) No Data

(1979) No Data

U.S. Imports · 2건

(1977) 4.99X10+4 GRAMS (PRINCPL CUSTMS DISTS)

(1979) No Data

U.S. Production · 2건

(1977) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Methods of ManufacturingREACTION OF M-DIETHYLAMINOPHENOL WITH ETHYL ACETOACETATE
Household ProductsInformation on 3 consumer products that contain Diethylaminomethylcoumarin in the following categories is provided:

응용 분야

용도Optical bleach in textile industry, in coatings for paper, labels, book covers, etc.; to lighten plastics, resins, varnishes, and lacquers; invisible marking agent.

일반 설명Light tan grains. Gives bright blue-white fluorescence in very dilute solutions.

공급사8 곳

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
湖北达豪化工有限公司027-027-59106191 13986034860 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
广州市海珠区正鸿商行020-82550624 13016020539 · [email protected]

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