CAS 140-67-0 MFCD00008653-4-Allylanisole 4-烯丙基苯甲醚 -LabNovo

4-Allylanisole 4-烯丙基苯甲醚

CAS 140-67-0 MFCD00008653

化学结构图

SMILES: C=CCc1ccc(OC)cc1

化学属性

Mol. Formula	C10H12O
Mol. Weight	148
Refractive index	n20/D 1.521(lit.)
Boiling Point	220°C
Density	0.965 g/mL at 25 °C(lit.)
Flash Point	81°C(lit.)
TSCA	Yes
Appearance	无色至浅黄色液体，呈大茴香似香气。沸点216℃。溶于乙醇和氯仿，不溶于水。天然品存在于苹果、欧洲越橘、大茴香、苹果酒、马郁兰、龙蒿、茴香等中。

别名和识别编码

Chemical Name	1-Allyl-4-Methoxybenzene
Synonym	4-Allylanisol 4-allylanizole 甲基黑椒酚甲基胡椒酚 Esdragol 4-烯丙基苯甲醚(草蒿脑) 爱草脑 3-(4-METHOXYPHENYL)-1-PROPENE METHYL CHAVICOL 1-Methoxy-4-(2-propenyl)benzene methylchavicol Esdragole p-Methoxyallylbenzene 1-allyl-4-methoxy-benzene 1-甲氧代-4-(2-丙烯基) 1-methoxy-4-(2-propenyl)-benzen 茴香腦胡椒酚 Chavicol, O-methyl- Ether, p-allylphenyl methyl p-Allylphenyl methyl 4-METHOXYALLYLBENZENE 4-Allylamisol ESTRAGOLE 1-Allyl-4-methoxybenzene Anisole, p Chavico 4-烯丙基茴香醚 4-allyl ANISOLE, P-ALLYL- 胡 1-Methoxy-4-(2-propenyl)benzene; Estragole Methyl chavicol 4-allyl-anisole 對烯丙大茴香醚 Isoanethole 1-甲氧基-4-(2-丙烯基)苯 1-METHOXY-4-(2-PROPEN-1-YL)BENZENE Benzene, 1-methoxy-4-(2-propenyl)- {C 4-烯丙基苯甲醚 P-ALLY p-Methoxyallylbenzene CHAVICOL METHYL ETHER Estragole Estr Chavicol methyl ether 1-METHOXY-4-(2-PROPENYL)BENZENE 4-Allyl-1-methoxybenzene p-Allylanisole Anisole, p-allyl- 4-Allylme Esdragon FEMA 2411 4-ALLYL-1-METHOXYBENZENE 對烯丙苯基甲基醚 Methyl 4-烯 p-Allylanisole 4-Methoxyallylbenzene
CAS Number	140-67-0
PubChem Substance ID	87562255
EC Number	205-427-8
Beilstein Registry Number	6(4)3796
MDL Number	MFCD00008653
Reaxys-RN	1099454
Merck Number	3705
Chemical Name Translation	4-烯丙基苯甲醚
Wiswesser Line Notation	1U2R DO1
LabNetwork Molecule ID	LN00194391
InChI	InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3

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安全信息

GHS Symbol

WGK Germany3

Hazard statements

H227 Combustible liquid 可燃液体
H302 Harmful if swallowed 吞食有害
H317 May cause an allergic skin reaction 可能导致皮肤过敏
H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
H351 Suspected of causing cancer 怀疑致癌

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

Hazard Codes Xn

RTECSBZ8225000

Precautionary statements

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
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。
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+P312+P330
P302+P350
P302+P352+P332+P313+P362+P364
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
P370+P378
P403+P235
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Warning {} {} {} {} {} {TCI}

Risk Statements

R38 Irritating to skin 刺激皮肤
R22 Harmful if swallowed 吞咽有害
R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Safety Statements

S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
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；

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 97 gm/kg/1Y-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Liver - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   43,1124,1983

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 195 gm/kg/1Y-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Liver - tumors
   Liver - angiosarcoma
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   43,1124,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 111 mg/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   47,2275,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 140 mg/kg/22D-I
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:
   57,1323,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1030 mg/kg
TOXIC EFFECTS :
   Behavioral - antipsychotic
REFERENCE :
   COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
   (Paris, France)  V.1-261, 1835-1965.  For publisher information, see CRASEV.
    Volume(issue)/page/year: 246,1465,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 14,603,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1230 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 14,603,1976

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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1250 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - coma
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            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 20 umol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 60,143,1979

TYPE OF TEST            : Body fluid assay
TEST SYSTEM             : Rodent - rat Bacteria - Salmonella typhimurium
DOSE/DURATION           : 2500 mg/kg
REFERENCE :
   NUCADQ Nutrition and Cancer.  (Franklin Institute Press, POB 2266,
   Phildelphia, PA 19103) V.1-    1978-  Volume(issue)/page/year: 1,10,1979

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 2 gm/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 325,129,1994

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   28,537,1990

TYPE OF TEST            : DNA adduct
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 5,1613,1984

其他信息

用途一:香料。主要供配制香辛料、啤酒香精和调味剂。用于焙烤制品、含醇及无醇饮料、胶姆糖、糖果、蜜饯、冰淇淋、鱼、沙拉、沙司、醋等。
毒性分级:中毒
刺激数据:皮肤-兔子 500 毫克/24小时中度
毒性:ADI尚未规定(FAO/WHO，1994)。GRAS(FEMA)。
上游原料:松节油 --> 3-溴丙烯 --> 龙蒿油
类别:有毒物品
FEMA:2411
含量分析:方法一按GT-14方法测定甲氧基含量，然后按下式计算：草蒿脑(%)=甲氧基含量(%)×148.2/31.03 方法二按GT-10-4中用极性柱方法测定。
Acros Organics:4-烯丙基苯甲醚 4-Allylanisole, 98%(140-67-0)
TCI Shanghai:4-烯丙基苯甲醚 4-Allylanisole,>;97.0%(GC)(140-67-0)
4-烯丙基苯甲醚价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 A0702 4-烯丙基苯甲醚 4-Allylanisole 10G 273元 2014/06/02 A0702 4-烯丙基苯甲醚 4-Allylanisole 500G 2500元 2010/06/21 102880250 4-烯丙基苯甲醚 4-Allylanisole 98% 25 GR 317元
可燃性危险特性:易燃; 燃烧产生刺激烟雾
急性毒性:口服-大鼠 LDL0: 1230 毫克/公斤; 口服-小鼠LD50: 1030 毫克/公斤
图谱信息:4-烯丙基苯甲醚(140-67-0)红外图谱(IR1) 4-烯丙基苯甲醚(140-67-0)质谱(MS) 4-烯丙基苯甲醚(140-67-0)核磁图( 13 CNMR) 4-烯丙基苯甲醚(140-67-0)Raman光谱 4-烯丙基苯甲醚(140-67-0)核磁图( 1 HNMR)
方法一:由松节油或龙蒿油分馏而得。由烯丙基溴和对甲氧基苯酚镁反应而得。
Alfa Aesar:4-烯丙基苯甲醚,98% 4-Allylanisole, 98%(140-67-0)
MOL 文件:140-67-0.mol
使用限量:FEMA(mg/kg)：软饮料10；冷饮11；糖果36；焙烤食品41；胶姆糖150；调味品2.0。适度为限(FDA§172．515，2000)。
下游产品:茴香脑
Sigma Aldrich:140-67-0(sigmaaldrich)
储运特性:库房通风低温干燥; 与食品原料分开存放
灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
参考质量标准:FCC，1996 含量 ≥95% 折射率(n D 20 ) 1.519～I.524 醇中溶解度(OT-43) lml溶于6mL 80%乙醇，透明相对密度(d 25 25 ) 0.960~0.968

4-Allylanisole 4-烯丙基苯甲醚

CAS 140-67-0 MFCD00008653

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化学结构图

化学属性

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