CAS 120-58-1 MFCD00005838-Isosafrol 异黄樟素 TAO{mole}

Isosafrol 异黄樟素

CAS 120-58-1 MFCD00005838

化学结构图

SMILES: C/C=C/c1ccc2c(c1)OCO2

化学属性

Mol. Formula	C10H10O2
Mol. Weight	162.20
Refractive index	n20/D 1.573(lit.)
Density	1.12 g/mL at 25 °C(lit.)
Boiling Point	77-86 °C/3.5 mmHg(lit.)
Flash Point	>;230 °F
Appearance	无色至微黄色液体。沸点248℃，熔点7℃，相对密度1.115-1.121，折射率1.573-1.578，闪点99℃，溶于8体积90%乙醇及油质香料中。有柔甜辛香，隐约的花香茴清香气，也有些类似茉莉醛的气息。香气强烈而留长。

别名和识别编码

Chemical Name	Isosafrol
Synonym	{uni_hamburg} 1,2-Methylenedioxy-4-propenylbenzene 异黄樟油素(顺式+反式) Isosafrol, cis/trans 5-丙烯基-1,3-苯并二噁茂 5-(1-Propenyl)-1,3-benzodioxole 3,4-(Methylenedioxy)-1-propenylbenzene 4-Propenylcatechol methylene ether Isosafrol, mixture of cis and trans 5-prop-1-enyl-1,3-benzodioxole 5-cis/trans-propenyl-benzo-1,3-dioxo ISOSAFROL 1,2-METHYLENEDIOXY-4-(1-PROPENYL)BENZENE 5-cis/trans-propen Isosafrole 3,4-(methylen 1,2-Methylendioxy-4-propenylbenzol 1-(3,4-methylenedioxyphenyl)propene 异黄樟(油)素(顺、反式混合物) 5-[(1E)-1-Propenyl]-1,3-benzodioxole 1,2-(methylenedioxy)-4-propenyl-benzen 4-Propenyl-1,2-methylenedioxybenzene 5-(1-Propenyl)-1,3-benzodioxoleq {u ((E)-5-PROPENYL)-BENZO[1,3]D 1,2-(METHYLENEDIOXY)-4-PROPENYLBENZENE 异黄樟脑 RCRA waste number U141 NSC 59192 异黄樟油素 5-(Propen-1-yl)-1,3-benzodioxole 3,4-Methylenedihydroxy-1-propenylbenzene 5-propenyl-benzo-1,3-dioxole ISOSAFROLE 5-(1-propenyl)-3-benzodioxole Izosafrol 1,2-Methylendioxy-4-(1-propenyl)-benzol, cis/trans-Isomerengemisch (E/Z)-Isosafrol Isosafrole, mixture of isomers Benzene, 1,2-methylenedioxy-4-propenyl- ((E 异黄樟素 4-丙烯基-1,2-亚甲二氧基苯異黃樟油精 1,3-Benzodioxole, 5-(1-propenyl)- 1,2-(Methylenedioxy)-4-propenylbenzene Benzene, 1,2-(methylenedioxy)-4-propenyl- Isosafrole, mixture of ci
EC Number	204-410-2
Beilstein Registry Number	0082640
MDL Number	MFCD00005838
PubChem Substance ID	24859803
CAS Number	120-58-1
Chemical Name Translation	异黄樟素
Merck Number	13,5244
Wiswesser Line Notation	T56 BO DO CHJ G1U2

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安全信息

GHS Symbol

WGK Germany3

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H302 Harmful if swallowed 吞食有害

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RTECSDA5950000

Signal word Warning

Hazard Codes Xn

Risk Statements

R38 Irritating to skin 刺激皮肤
R22 Harmful if swallowed 吞咽有害

Safety Statements

S36 Wear suitable protective clothing 穿戴适当的防护服；

Restrict 易制毒化学品

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 61 gm/kg/81W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Liver - tumors
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   42,1101,1969

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 101 gm/kg/81W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 19,130,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       :

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie.  (Leipzig,
   Ger. Dem. Rep.)  V.1-109, 1873-1925.  For publisher information, see NSAPCC.
    Volume(issue)/page/year: 35,342,1895

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1030 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   SIZSAR Sapporo Igaku Zasshi.  Sapporo Medical Journal.  (Sapporo Igaku
   Daigaku, Nishi-17-chome, Minami-1-jo, Chuo-ku, Sapporo 060, Japan)  V.3-
   1952-  Volume(issue)/page/year: 3,73,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1340 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   7,18,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2470 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

{hazard_co

其他信息

图谱信息:异黄樟素(120-58-1)红外图谱(IR1) 异黄樟素(120-58-1)核磁图( 1 HNMR) 异黄樟素(120-58-1)质谱(MS) 异黄樟素(120-58-1)核磁图( 13 CNMR) 异黄樟素(120-58-1)红外图谱(IR2)
方法一:由黄樟脑异构化而得。取不含水分的黄樟脑，在氢氧化钾-无水酒精溶液中加热异构化，蒸馏得到异黄樟脑，收率可达98%。水分存在对异构化反应很不利。
Sigma Aldrich:120-58-1(sigmaaldrich)
用途一:可用于香薇、葵花、山楂花、百合、素心兰、东方香型等香精中，大都属于皂用香精。在古龙型香精中微量用作修饰剂，也用于人工配制某些天然精油如依兰、卡南加等，也是合成洋茉莉醛的原料。
上游原料:乙醇 --> 黄樟素
MOL 文件:120-58-1.mol
异黄樟素价格(试剂级):更新日期产品编号产品名称包装价格 2010/06/21 259800010 异黄樟素 Isosafrol 95%, mixture of cis and trans 1 KG 1069元 2010/06/21 259801000 异黄樟素 Isosafrol 95%, mixture of cis and trans 100 ML 780元
Acros Organics:异黄樟素 Isosafrol,mixtureofcisandtrans,95%(120-58-1)
下游产品:胡椒醛 --> 4-丙烯基-2-甲氧基苯酚 --> 黄莲素
用途二:用于配制皂用香精。