Theobromine

한글명:Theobromine

카스 번호83-67-0

상품명:Theobromine

CBNumberCB7753381

분자식C7H8N4O2

포뮬러 무게180.16

MOL 파일83-67-0.mol

동의어(한글)

테오브로민

화학적 성질

녹는점	345-350 °C
끓는 점	312.97°C (rough estimate)
밀도	1.50
굴절률	1.6700 (estimate)
FEMA	3591 \| THEOBROMINE
인화점	290-295°C
저장 조건	Inert atmosphere,Room Temperature
용해도	H₂O: 약간 용해됨
물리적 상태	고체
물리적 상태	단단한 모양
산도 계수 (pKa)	7.89(at 18℃)
색상	하얀색
냄새	냄새 없는
수용성	약간 용해됨, 18°C에서 <0.1 g/100 mL
승화점	290-295 ºC
Merck	14,9282
BRN	16464
InChIKey	YAPQBXQYLJRXSA-UHFFFAOYSA-N
LogP	-0.78
CAS 데이터베이스	83-67-0(CAS DataBase Reference)
IARC	3 (Vol. 51) 1991
NIST	1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-(83-67-0)
EPA	Theobromine (83-67-0)

위험 및 안전 성명

위험품 표기

Xn,Xi,T,F

위험 카페고리 넘버

22-36/37/38-39/23/24/25-23/24/25-11

안전지침서

22-24/25-36-26-45-36/37-16-7

유엔번호(UN No.)

UN1230 - class 3 - PG 2 - Methanol, solution

WGK 독일

RTECS 번호

XH2275000

F 고인화성물질

10-23

TSCA

Yes

HS 번호

29399990

유해 물질 데이터

83-67-0(Hazardous Substances Data)

NFPA 704:

	1
2		0

그림문자(GHS)

Theobromine MSDS

Theobromine 화학적 특성, 용도, 생산

개요
Theobromine is a methylxanthine alkaloid and derivative of caffeine that has been found in cocoa beans and has diverse biological activities. It is an adenosine A₁ receptor antagonist (IC₅₀s = 200-280 μM in radioligand binding assays using rat brain membranes). Theobromine (150 μg/ml) increases AMPK phosphorylation and inhibits adipocyte differentiation, ERK and JNK phosphorylation, and IL-6 and TNF-α production in 3T3-L1 preadipocytes cultured in differentiation medium. It inhibits decreases in renal cortex SIRT1 activity and increases in NADPH oxidase-dependent reactive oxygen species (ROS) production, as well as reduces kidney hypertrophy and albuminuria in a spontaneously hypertensive rat model of streptozotocin-induced diabetes when administered at a dose of 5 mg/kg per day. Theobromine is toxic to dogs with an LD₅₀ value of 250 to 500 mg/kg.
화학적 성질
A methyl xanthine similar to caffeine. Theobromine has a bitter taste.
출처
Reported found in cocoa bean, cocoa powder, cola nut and tea.
정의
ChEBI: A dimethylxanthine having the two methyl groups located at positions 3 and 7. It is a purine alkaloid derived from cocoa tree.
일반 설명
Odorless white crystalline powder. Bitter taste. pH (saturated solution in water): 5.5-7.
공기와 물의 반응
Insoluble in water.
반응 프로필
Theobromine may be sensitive to prolonged exposure to light. Theobromine has weakly acidic properties, combining with bases to forms salts. Theobromine also has even weaker basic properties, combining with acids to form salts which are decomposed in aqueous solution. .
위험도
Toxic by ingestion. Questionable carcinogen.
화재위험
Flash point data for Theobromine are not available; however, Theobromine is probably combustible.
Safety Profile
Poison by ingestion. Moderately toxic by subcutaneous route. An experimental teratogen. Human systemic effects by ingestion: central nervous system and gastrointestinal changes. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Used as a diuretic, smooth muscle relaxant, cardiac stimulant, and vasoddator.
Purification Methods
It crystallises from H2O. Its solubility in H2O is 0.06% at 15o and 1.25% at 100o, and it is poorly soluble in organic solvents. It forms salts with heavy metals and is a diuretic, vasodilator and a cardiac stimulant. [Lister Purines Part II, Fused Pyrimidines Brown Ed, Wiley-Interscience pp254-225 1971, ISBN 0-471-38205-1, Beilstein 26 H 457, 26 I 135, 26 II 264, 26 III/IV 2336.]
참고 문헌
Biltz, Max., Annalen, 423,320 (1921)
Dubosc., Chem. Zentr., IV, 956 (1932)
Gepner, Kreps., Chem. Abstr., 41,96 (1947)
Bohinc, Korber-Smid, J agodic., Farm. Vestn., (Ljubljana), 23, 143 (1972)

Theobromine 준비 용품 및 원자재

Theobromine 공급 업체

Theobromine 관련 검색

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