5-氯香芹酚

5-氯香芹酚 基本信息
CAS号 5665-94-1 分子式 C10H13ClO
分子量 184.66300 精确质量 　184.06500
PSA 　20.23000 LogP 　3.47740
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目录
基本信息 物化性质 安全信息 合成路线 毒性 海关数据 上下游

基本信息 展开↓

CAS号：
5665-94-1
3D弹球模型：
立即前往扯扯看
分子式：
C10H13ClO
分子量：
184.66300
中文名称：
5-氯香芹酚
英文名称：
4-chloro-2-methyl-5-propan-2-ylphenol
中文别名：
5-氯香芹酚;
4-氯-3-异烯基-6-甲基苯酚
英文别名：
4-chloro-2-methyl-5-propan-2-ylphenol;
EINECS 227-122-9;
MCIT;
4-chloro-5-isopropyl-O-cresol;
Chlorcarvacrol;
Carvasept;
4-Chlor-carvacrol;
5-Chlorocarvacrol;
CARVACROL,5-CHLORO;
5-Chlor-2-hydroxy-p-cymol;
4-Chlor-5-isopropyl-2-methyl-phenol;
4-chloro-5-isopropyl-2-methyl-phenol
精确分子量/精确质量：
184.06500
极性分子表面积/PSA：
20.23000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: AFFXNOIULZQAML-UHFFFAOYSA-N

物化性质展开↓

密度：
1.111g/cm3
沸点：
270.5ºC at 760 mmHg
闪点：
117.4ºC
折射率：
1.538

安全信息展开↓

海关代码：
2908199090

合成路线查看所有的合成路线

  • 499-75-2

    香芹酚

  • →

    ~54%

  • 5665-94-1

    5-氯香芹酚

  • 117886-49-4

    Phenol, 4-amino-2-methyl-5-(1-methylethyl)- (9CI)

  • →

  • 5665-94-1

    5-氯香芹酚

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FI1400000
CHEMICAL NAME :
Carvacrol, 5-chloro-
CAS REGISTRY NUMBER :
5665-94-1
BEILSTEIN REFERENCE NO. :
3239606
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C10-H13-Cl-O
MOLECULAR WEIGHT :
184.68
WISWESSER LINE NOTATION :
QR DG B1 EY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 5,338,1953
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 161,196,1931
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 161,196,1931
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 161,196,1931
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 161,196,1931

海关数据查看详细

中国海关编码：2908199090

概述：
HS:2908199090 其他酚及酚醇的仅含卤素取代基的衍生物及其盐 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%

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  • 499-75-2

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  • 117886-49-4

    Phenol, 4-amino-2-methyl-5-(1-methylethyl)- (9CI)

下游产品

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  • 60741-51-7

    2,4-dichloro-6-methyl-3-propan-2-ylphenol

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