Theobromine

Theobromine 구조식 이미지
카스 번호:
83-67-0
동의어(한글):
테오브로민
상품명:
Theobromine
동의어(영문):
3,7-dimethyl-1H-purine-2,6(3H,7H)-dione;3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione;Theobromin;3,7-DIMETHYLXANTHINE;2,6-DIHYDROXY-3,7-DIMETHYL-PURINE;Thesal;sc15090;SC 15090;NSC 5039;Teobromin
CBNumber:
CB7753381
분자식:
C7H8N4O2
포뮬러 무게:
180.16
MOL 파일:
83-67-0.mol
MSDS 파일:
SDS

Theobromine 속성

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)
NIST
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-(83-67-0)
IARC
3 (Vol. 51) 1991
EPA
Theobromine (83-67-0)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
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 1
RTECS 번호 XH2275000
F 고인화성물질 10-23
TSCA Yes
HS 번호 29399990
유해 물질 데이터 83-67-0(Hazardous Substances Data)
그림문자(GHS): GHS hazard pictogramsGHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H302 삼키면 유해함 급성 독성 물질 - 경구 구분 4 경고 GHS hazard pictograms P264, P270, P301+P312, P330, P501
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H351 암을 일으킬 것으로 의심됨 (노출되어도 암을 일으키지 않는다는 결정적인 증거가 있는 노출경로가 있다면 노출경로 기재) 발암성 물질 구분 2 경고 P201, P202, P281, P308+P313, P405,P501
예방조치문구:
P201 사용 전 취급 설명서를 확보하시오.
P202 모든 안전 조치 문구를 읽고 이해하기 전에는 취급하지 마시오.
P264 취급 후에는 손을 철저히 씻으시오.
P264 취급 후에는 손을 철저히 씻으시오.
P301+P312 삼켜서 불편함을 느끼면 의료기관(의사)의 진찰을 받으시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
P308+P313 노출 또는 접촉이 우려되면 의학적인 조치· 조언를 구하시오.
NFPA 704
1
2 0

Theobromine MSDS


3,7-Dimethyl-xanthine

Theobromine C화학적 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

원자재

준비 용품


Theobromine 공급 업체

글로벌( 515)공급 업체
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Hebei Yanxi Chemical Co., Ltd.
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Hebei Duling International Trade Co. LTD
+8618032673083
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Guangzhou Tengyue Chemical Co., Ltd.
+86-86-18148706580 +8618826483838
evan@tyvovo.com China 152 58
Zibo Hangyu Biotechnology Development Co., Ltd
+86-0533-2185556 +8617865335152
Mandy@hangyubiotech.com China 11013 58
Wuhan Xinhao Biotechnology Co., Ltd
+86-18120578002 +86-18120578002
xinhao-6@xinhaoshengwu.com China 350 58
Shanghai Affida new material science and technology center
+undefined15081010295
2691956269@qq.com China 359 58
Capot Chemical Co.,Ltd.
571-85586718 +8613336195806
sales@capotchem.com China 29797 60
Nanjing ChemLin Chemical Industry Co., Ltd.
025-83697070
product@chemlin.com.cn CHINA 3012 60
Nanjing Finetech Chemical Co., Ltd.
025-85710122 17714198479
sales@fine-chemtech.com CHINA 885 55
career henan chemical co
+86-0371-86658258
sales@coreychem.com China 29914 58

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