CAS 533-31-3 MFCD00005827-Sesamol 芝麻酚 TAO{mole}

Sesamol 芝麻酚

CAS 533-31-3 MFCD00005827

化学结构图

SMILES: Oc1ccc2c(c1)OCO2

化学属性

Mol. Formula	C7H6O3
Mol. Weight	138
Density	1.394
TSCA	Yes
Boiling Point	113°C/2mmHg(lit.)
Melting Point	62-65
Flash Point	113-116°C/2mm
Solubility	slightly soluble
Appearance	crystalline
Stability	对光敏感

别名和识别编码

Chemical Name	Sesamol
MDL Number	MFCD00005827
CAS Number	533-31-3
EC Number	208-561-5
Beilstein Registry Number	127405
Reaxys-RN	127405
PubChem Substance ID	68289
Synonym	芝麻酚 1,3-BENZODIOXOL-5-OL 5-BENZODIOXOLOL 1,3,4-苯三酚-3,4-缩甲醛 3,4-亚甲二氧基苯酚 1,3-Benzodioxol-5-ol BENZO[1,3]DIOXOL-5-OL Phenol, 3,4-(methylenedioxy)- Sesamol (Paroxetine intermediate) 二乙胺基乙氧基乙醇 methyleneetherofoxyhydroquinone 3,4-(Methylenedioxy)phenol, 5-Benzodioxolol 3,4-亚甲基二氧苯酚 3,4-二亚甲氧基苯酚 3,4-亚甲二氧基苯酚 3,4-(Methylenebisoxy)phenol Sesamol,98% Methylene ether of oxyhydroquinone 5-Hydroxy-1,2-methylenedioxybenzene 脂麻酚 5-HYDROXY-1,3-BENZODIOXOLE 3,4-Methylenedioxyphenol 芝麻酚/3,4-亚甲二氧基苯酚 SESAMOL(RG) SESAMOL 99+% 3
Chemical Name Translation	芝麻酚
Wiswesser Line Notation	T56 BO DO CHJ GQ
LabNetwork Molecule ID	LN00187711
InChI	InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2

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产品应用

广泛用于制备防霉抗菌剂、抗癌、抗高血压药品、高档洗发香波的头发调理剂等一系列精细化学品，是昂贵的化学、医药中间体原料，具有较好地开发利用价值和应用前景。还是抗癌药物和农药增效剂合成的重要中间体，还作为抗高血压和脑血管疾病药物的中间体。

安全信息

Signal word

GHS Symbol

WGK Germany3

Safety Statements

S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用

Precautionary statements

P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338
P305+P351+P338+P337+P313

RTECSSM0890000

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

Storage condition -20°C Light Sensitive 密封避光2-8°C保存。储存温度 2-8°C

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

Hazard Codes Xi

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 874 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
REFERENCE :
   JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB
   211, 1000 AE Amsterdam, Netherlands)  V.76-    1985-
   Volume(issue)/page/year: 83,1279,1992

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1092 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
REFERENCE :
   JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB
   211, 1000 AE Amsterdam, Netherlands)  V.76-    1985-
   Volume(issue)/page/year: 81,207,1990

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1092 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
REFERENCE :
   JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB
   211, 1000 AE Amsterdam, Netherlands)  V.76-    1985-
   Volume(issue)/page/year: 83,1279,1992

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1612 gm/kg/96W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
REFERENCE :
   JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB
   211, 1000 AE Amsterdam, Netherlands)  V.76-    1985-
   Volume(issue)/page/year: 81,207,1990

其他信息

MSDS 信息:5-Benzodioxolol(533-31-3).msds
MOL 文件:533-31-3.mol
Sigma Aldrich:533-31-3(sigmaaldrich)
上游原料:硫酸
color:off-white to tan
芝麻酚价格(试剂级):更新日期产品编号产品名称包装价格 2011/04/16 S0418 芝麻酚 Sesamol 25G 648元 2011/04/16 S0418 芝麻酚 Sesamol 250G 3500元 2010/06/21 132690250 芝麻酚 Sesamol 98% 25 GR 857元
外观性质:芝麻酚天然存在於芝麻油中，含量极少。该产品系芳香族酚类化合物，可以与酸、醛、醇（酚）等化合物作用生成酯、醚衍生物,微溶于水。熔点: 64 °C 沸点: 113 °C / 2mmHg
TCI Shanghai:3,4-亚甲基二氧苯酚 Sesamol,>;98.0%(GC)(533-31-3)
用途二:广泛用于制备防霉抗菌剂、抗癌、抗高血压药品、高档洗发香波的头发调理剂等一系列精细化学品，是昂贵的化学、医药中间体原料，具有较好地开发利用价值和应用前景。还是抗癌药物和农药增效剂合成的重要中间体，还作为抗高血压和脑血管疾病药物的中间体。
Hazard Note:Irritant
芝麻酚天然存在於芝麻油中，含量极少。该产品系芳香族酚类化合物，可以与酸、醛、醇（酚）等化合物作用生成酯、醚衍生物,微溶于水。
芝麻酚价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 S0418 芝麻酚 Sesamol 25G 580元 2014/06/02 S0418 芝麻酚 Sesamol 250G 2980元 2010/06/21 132690250 芝麻酚 Sesamol 98% 25 GR 857元
图谱信息:芝麻酚(533-31-3)红外图谱(IR1) 芝麻酚(533-31-3)核磁图( 1 HNMR) 芝麻酚(533-31-3)质谱(MS) 芝麻酚(533-31-3)核磁图( 13 CNMR) 芝麻酚(533-31-3)红外图谱(IR2)
海关编码:29329970
用途一:用作抗氧剂、医药中间体及化妆品添加剂
Acros Organics:芝麻酚/3,4-亚甲二氧基苯酚 Sesamol, 98%(533-31-3)
下游产品:喷托维林
Alfa Aesar:芝麻酚,98% Sesamol, 98%(533-31-3)