CAS 87-20-7 MFCD00020037-Isoamyl o-Hydroxybenzoate 水杨酸异戊酯 TAO{mole}

Isoamyl o-Hydroxybenzoate 水杨酸异戊酯

CAS 87-20-7 MFCD00020037

化学结构图

SMILES: CC(C)CCOC(=O)c1ccccc1O

化学属性

Mol. Formula	C12H16O3
Mol. Weight	208.25
Refractive index	1.5050 to 1.5080
Boiling Point	276°C at 760 mmHg
Density	1.05
Flash Point	146°C(lit.)
Solubility	不溶于水，不溶于甘油，溶于乙醇、乙醚。

别名和识别编码

Chemical Name	Isoamyl o-Hydroxybenzoate
Synonym	Isopentyl 2-hydroxybenzoate {LY} Isopentyl 2-hydroxybenzoate {} {LY} Isopentyl 2-hydroxybenzoate {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl 2-hyd
MDL Number	MFCD00020037
CAS Number	87-20-7
PubChem Substance ID	6874
EC Number	201-730-4
Chemical Name Translation	水杨酸异戊酯
Reaxys-RN	2580465
Merck Number	5125
Beilstein Registry Number	2580465
Wiswesser Line Notation	QR BVO2Y1&1
LabNetwork Molecule ID	LN00197345
InChI	InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
Canonical SMILES	CC(C)CCOC(=O)C1=CC=CC=C1O

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安全信息

WGK Germany2

Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)

RTECSVO4375000

Safety Statements

S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；

Hazard Codes 9

Risk Statements

R51/53

Hazard Class9

GHS Symbol

UN Number 3082

Signal word Warning

Precautionary statements

P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P273 Avoid release to the environment. 避免释放到环境中。
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。
P302+P352+P332+P313+P362+P364
P305+P351+P338+P337+P313
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P332+P313
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
P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H303 May be harmfully swallowed 吞食可能有害

Packing GroupIII

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3300 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   TOVEFN Toksikologicheskii Vestnik.  (18-20 Vadkovskii per.  Moscow, 101479,
   Russia) History Unknown  Volume(issue)/page/year: (2),25,1994

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 2480 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   TOVEFN Toksikologicheskii Vestnik.  (18-20 Vadkovskii per.  Moscow, 101479,
   Russia) History Unknown  Volume(issue)/page/year: (2),25,1994

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 12600 mg/kg
SEX/DURATION            : male 42 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,185,1975

Storage condition

其他信息

方法一:由异戊醇和水杨酸酯化后分馏而得。
食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称允许使用该种添加剂的食品中文名称添加剂功能最大允许使用量（g/kg）最大允许残留量（g/kg）水杨酸异戊酯食品食品用香料用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
用途四:有定香作用，用于配制许多类型的香精。由于对碱稳定，故极适用于皂用香精。也用于医药上。可用于食品。
MOL 文件:87-20-7.mol
FEMA:2084
图谱信息:柳酸异戊酯(87-20-7)Raman光谱柳酸异戊酯(87-20-7)质谱(MS) 柳酸异戊酯(87-20-7)红外图谱(IR1) 柳酸异戊酯(87-20-7)核磁图( 13 CNMR) 柳酸异戊酯(87-20-7)红外图谱(IR2)
Sigma Aldrich:87-20-7(sigmaaldrich)
用途一:用于配制皂用及食用香精
用途三:GB 2760一96规定为允许使用的食用香料。主要用以配制啤酒和各种类型的香精(用量极微)。
柳酸异戊酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 S0012 水杨酸异戊酯(含水杨酸2-甲基丁酯) Isoamyl Salicylate (contains 2-Methylbutyl Salicylate) 500ML 526元 2014/06/02 S0012 水杨酸异戊酯(含水杨酸2-甲基丁酯) Isoamyl Salicylate (contains 2-Methylbutyl Salicylate) 25ML 117元
上游原料:水杨酸
TCI Shanghai:水杨酸异戊酯(含2-甲丁基水杨酸酯) Isoamyl Salicylate (contains 2-Methylbutyl Salicylate),>;98.0%(GC)(87-20-7)
MSDS 信息:水杨酸异戊酯(87-20-7).msds
下游产品:水杨酸戊酯
外观性质:无色液体, 有浓郁的花香气味。
用途二:是常用而且较重要的水杨酸酯类之一。适用于草兰型香精及苔香、香薇、素心兰、新刈草等香型中。花香型如香石竹、紫罗兰、桂花、金雀花、风信子、含羞花等及重香型的木香与东方香型与麝香型配方中也用之。也能与广藿香油、岩兰草油、檀香油或柏木油和合共同用于皂用香薇型中。