CAS 499-75-2 MFCD00002236-5-Isopropyl-2-Methylphenol 5-异丙基-2-甲苯酚 TAO{mole}

5-Isopropyl-2-Methylphenol 5-异丙基-2-甲苯酚

CAS 499-75-2 MFCD00002236

化学结构图

SMILES: Cc1ccc(C(C)C)cc1O

化学属性

Mol. Formula	C10H14O
Mol. Weight	150.22
Refractive index	1.5230 to 1.5250
Boiling Point	237.2 °C at 760 mmHg
Density	0.976
Melting Point	3-4°C
Flash Point	100°C(lit.)
Appearance	无色至淡黄色稍具稠粘性的油液。置空气和光中，色泽变深。呈辛香、凉香、药草香，具有似百里香酚的气味。沸点238℃，熔点0.5～1℃，闪点100℃。溶于乙醇、乙醚、丙二醇和碱，不溶于水。混溶于油类。天然品存在于百里香油(约70%)、牛至油(约80%)及甘牛至油等中。
Solubility	Insoluble

别名和识别编码

Chemical Name	5-Isopropyl-2-Methylphenol
Synonym	Carvacrol {LY} Carvacrol {} {LY} Carvacrol {} {} {LY} Carvacrol {} {} {} {LY} Carvacrol {} {} {} {} {LY} Carvacrol {} {} {} {} {} {LY} Carvacrol {} {} {} {} {} {} {LY} Carvacrol {} {} {} {} {} {} {} {LY} Carvacrol {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Carvacrol {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Carvacrol {} {} {} {} {} {} {} {} {} {} {LY} Carvacrol {} {} {} {} {} {} {} {} {} {} {} {LY} Carvacrol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Carvacrol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Carvacrol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Carvacrol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Carvacrol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Carvacrol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Carvacrol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number	499-75-2
PubChem Substance ID	10364
EC Number	207-889-6
Beilstein Registry Number	1860514
MDL Number	MFCD00002236
Chemical Name Translation	5-异丙基-2-甲苯酚
Reaxys-RN	1860514
Merck Number	1872
Wiswesser Line Notation	QR B1 EY1&1
LabNetwork Molecule ID	LN00238521
InChI	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
Canonical SMILES	OC1=CC(C(C)C)=CC=C1C

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

产品应用

用于配制香精，也用作杀菌剂和消毒剂。

安全信息

GHS Symbol

WGK Germany3

Hazard statements

H302 Harmful if swallowed 吞食有害
H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
H315 Causes skin irritation 会刺激皮肤
H317 May cause an allergic skin reaction 可能导致皮肤过敏
H318 Causes serious eye damage 严重伤害眼睛
H319 Causes serious eye irritation 严重刺激眼睛

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

Hazard Codes 8 C

RTECSFI1225000

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
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。
P301+
P301+P312
P301+P312+P330
P302+P350
P302+P352
P305+P351+P338
P305+P351+P338+P337+P313
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P332+P313
P333+P313
P337+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
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Danger

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；
S36/37/39 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；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；

Risk Statements

R22 Harmful if swallowed 吞咽有害
R34 Causes burns 会导致灼伤

Packing GroupIII

Hazard Class8

UN Number 3265

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 75 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBTXAC "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co.,
   1956-59  Volume(issue)/page/year: 5,46,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 810 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent k

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBTXAC "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co.,
   1956-59  Volume(issue)/page/year: 5,46,1959

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Behavioral - sleep
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

参考质量标准:FCC，1996 含量 ≥98.0% 折射率(n D 20 ) 1.521～1.526 相对密度(d 25 25 ) 0.974~0.9
上游原料:天然精油 --> 百里酚
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）香芹酚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
有百里酚的气味,溶于乙醇、乙醚、碱溶液,不溶于水。
用途二:香料。主要供配制莳萝、丁子香、费蒿、肉、薄荷、香草香精等用。
化学性质:将对异丙基甲苯用硫酸磺化，生成对异丙基甲苯-2-磺酸，然后再经碱熔处理便获得香芹酚。图2为对异丙基甲苯制备香芹酚香芹酚与氢氧化钾共熔融得2-羟基-4-异丙基苯甲酸，与五氯化磷反应得2-氯-1-甲基-4-异丙基苯，在乙酸中与1mol溴反应得4-溴香芹酚，与2mol溴反应则生成4，6-二溴香芹酚;若与溴和金属铝一起作用则得到四溴邻甲苯酚。易溶于浓硫酸生成2-甲基-5-异丙基苯酚-4-磺酸。在氢氧化钠水溶液中与甲醛反应得到香芹酚亭醇：图3为香芹酚与甲醛反
{Chemi
含量分析:按GT-10-4用非极性柱方法测定。
注意事项:注意：勿与强碱性药物、各类助
刺激数据:皮肤-兔 500 毫克/24小时重度
{Ch
参考质量标准:FCC，1996 含量 ≥98.0% 折射率(n D 20 ) 1.521～1.526 相对密度(d 25 25 ) 0.974~0.980 醇中溶解度 lml溶于4mL 60%乙醇，澄明
毒性:GRAS(FEMA)。 LD 50 810mg/kg(大鼠，经口)。
化学性质:将对异丙基甲苯用硫酸磺化，生成对异丙基甲苯-2-磺酸，然后再经碱熔处理便获得香芹酚。图2为对异丙基甲苯制备香芹酚香芹酚与氢氧化钾共熔融得2-羟基-4-异丙基苯甲酸，与五氯化磷反应得2-氯-1-甲基-4-异丙基苯，在乙酸中
Acros Organics:香荆介酚(
TCI Shanghai:香芹酚 Carvacrol,>;95.0%(GC)(499-75-2)
储运特性:库房低温通风干燥; 防明火, 高温, 与氧化剂分开存放
使用限量:FEMA(mg/kg)：软
Sigma Aldrich:499-75-2(sigmaa
灭火剂:雾水,二氧化碳, 泡沫, 干粉
香精香料:香芹酚是百里香酚的同分异构体，香气与百里香酚类似，故又称为异百里香酚。香芹酚天然存在于百里香油等精油中，尤以西班牙产的百里香油里香芹酚的含量较高。香芹酚主要用于配制莳萝、丁子香、薄荷和香草等香精，用于牙膏、牙粉、口腔用品、爽身粉、香皂及日用工业品。医药上用作局部麻醉药，此外香芹酚可杀死细菌及肠内寄生虫，可用作消毒剂和杀菌剂。根据有关资料报道，香芹酚的急性毒性数据：口服LD50810mg/ kg(大鼠)，皮试LD50>5g/kg(兔子)。百里香别名麝香草。产地东北、河北、内蒙古、甘肃、青海和新疆等省区。成分：百里香全草含挥发油约0.15～0.5%(油中主要为香芹酚、对伞花烃、百里香酚)、苦味质、鞣质。叶含游离的齐墩果酸、乌索酸、咖啡酸等。百里香不但可入药保健，可作调料，而且也是加工食品的上乘天然保健原料。进入20世纪80年代以来，百里香之类的草药食品倍受欢迎。有关研究表明，百里香所含挥发油除可调味、祛病之外，还具有防腐、抑菌等功用。因此以其作为食品原料可使食者受益良多。正因为如此，在欧洲的药茶中也自然少不了百里香。如一种具有止咳和防治支气管炎效果的药茶原料中即有10%的百里香叶。图1为百里香植物图片以上信息由Chemicalbook佳易编辑整理。
毒性分级:中毒
类别:农药
Acros Organics:香荆介酚(2-甲基-5-异丙基苯酚) 5-Iso