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4-己基间苯二酚

4-己基间苯二酚用途

Hexylresorcinol是一种有机化合物, 用作局部麻醉剂, 具有防腐和驱虫性能, 是有效的蘑菇酪氨酸酶抑制剂, 100 μM时引起90％失活。

4-己基间苯二酚名称

[ CAS 号 ]:
136-77-6

[ 中文名 ]:
4-己基间苯二酚

[ 英文名 ]:
4-Hexylresorcinol

[中文别名 ]:

[英文别名 ]:

Hexylresorcinol
4-Hexylresorcinol
MFCD00002284
1,3-Benzenediol, 4-hexyl-
4-hexylbenzene-1,3-diol
4-n-hexylresorcinol
4-Hexyl-1,3-benzenediol
4-Hexyl-1,3-dihydroxybenzene,4-Hexylresorcinol
EINECS 205-257-4
4-Hexylbenzol-1,3-diol

4-己基间苯二酚生物活性

[ 描述 ]:

Hexylresorcinol是一种有机化合物, 用作局部麻醉剂, 具有防腐和驱虫性能, 是有效的蘑菇酪氨酸酶抑制剂, 100 μM时引起90％失活。

[ 相关类别 ]:

信号通路 >> 代谢酶/蛋白酶 >> 酪氨酸酶

研究领域 >> 其他

[相关活性小分子]

4-己基间苯二酚物理化学性质

[ 密度 ]:
1.0±0.1 g/cm3

[ 沸点 ]:
329.5±12.0 °C at 760 mmHg

[ 熔点 ]:
65-67 °C(lit.)

[ 分子式 ]:
C₁₂H₁₈O₂

[ 分子量 ]:
194.270

[ 闪点 ]:
155.2±14.2 °C

[ 精确质量 ]:
194.130676

[ PSA ]:
40.46000

[ LogP ]:
3.88

[ 外观性状 ]:
略红色粉末

[ 蒸汽压 ]:
0.0±0.7 mmHg at 25°C

[ 折射率 ]:
1.540

[ 储存条件 ]:
存放于惰性气体之中;避免空气

[ 稳定性 ]:
Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents.

[ 水溶解性 ]:
0.05 g/100 mL (18 ºC)

4-己基间苯二酚MSDS

4-己基间苯二酚毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VH1575000

CHEMICAL NAME :: Resorcinol, 4-hexyl-

CAS REGISTRY NUMBER :: 136-77-6

BEILSTEIN REFERENCE NO. :: 2048312

LAST UPDATED :: 199701

DATA ITEMS CITED :: 17

MOLECULAR FORMULA :: C12-H18-O2

MOLECULAR WEIGHT :: 194.30

WISWESSER LINE NOTATION :: QR CQ D6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 550 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1040 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 335 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 750 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 16250 mg/kg/13W-I

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 32500 mg/kg/13W-I

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 64 gm/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Endocrine - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 5 mg/kg

SEX/DURATION :: female 1 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - ovaries, fallopian tubes

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 18 ug/L

REFERENCE :: NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-330,1988

4-己基间苯二酚安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302-H315-H319-H335

[ 警示性声明 ]:
P261-P305 + P351 + P338

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xn:Harmful;

[ 风险声明 (欧洲) ]:
R22;R36/37/38

[ 安全声明 (欧洲) ]:
S26-S36-S24/25

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
3

[ RTECS号 ]:
VH1575000

[ 海关编码 ]:
29072900

4-己基间苯二酚合成路线

4-己基间苯二酚上下游产品

4-己基间苯二酚上游产品

4-己基间苯二酚下游产品

4-己基间苯二酚制备

1.由己酰间苯二酚还原而得。将锌汞齐加入己酰间苯二酚中，再加入工业盐酸，搅拌升温至75-80℃，自然升温至104-110℃，保温反应1.5-2h，降温至80℃，检查反应终点。反应完成后降温至40℃以下，分出还原物，水洗，减压蒸去水分，收集145-152℃（0.133-0.267kPa）馏分，得4-己基间苯二酚粗品。收率90%。粗品用石油醚重结晶即得成品。

2.将1/2量的己酸投入溶解锅，加入无水氯化锌，并加热搅拌，使混合物在120℃左右溶解；将另一半己酸投入缩合锅内，并加入间苯二酚，搅拌溶解；在120℃左右滴加上述氯化锌/己酸溶液，减压至93kPa，保温反应3h，同时蒸出反应生成的水；反应结束后将温度降至80℃，加水洗涤5次，移入蒸馏锅，先后经常压脱水、减压脱水、回收未反应的己酸，得缩合产物己酰间苯二酚。将锌汞齐加入己酰间苯二酚中，再加入工业盐酸，搅拌升温至75～80℃，自然升温至104～110℃，保温反应1.5～2.0h。降温至80℃，检查反应终点；反应完成后降温至40℃以下，分出还原物，水洗后减压蒸出水分，收集145～152℃(133～266Pa)馏分，得4-己基间苯二酚粗品，收率90%；粗品经石油醚重结晶即得成品。

3.己酸与间苯二酚缩合，经锌汞齐还原蒸馏精制而成。

4-己基间苯二酚海关

[ 海关编码 ]: 2907299090

[ 中文概述 ]:
2907299090 其他多元酚，酚醇。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。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

[ 监管条件 ]: A.入境货物通关单 B.出境货物通关单

[ 检验检疫 ]: R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验

[ Summary ]:
2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

4-己基间苯二酚文献

Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.

Toxicol. Mech. Methods 18 , 217-27, (2008)

ABSTRACT Drug-induced phospholipidosis (PL) is a condition characterized by the accumulation of phospholipids and drug in lysosomes, and is found in a variety of tissue types. PL is frequently manifes...

Preparation, characterization, and preliminary antibrowning evaluations of norartocarpetin microemulsions.

J. Agric. Food Chem. 63(5) , 1615-21, (2015)

Norartocarpetin is a flavone widely distributed in Moraceae plants with strong tyrosinase inhibitory activity. However, its poor solubility in aqueous systems and in food grade solvents (oils) limits ...

Effects of 4-hexylresorcinol on the phenoloxidase from Hyphantria cunea (Lepidoptera: Arctiidae): In vivo and in vitro studies.

Insect Sci. 22 , 639-50, (2015)

Insecticidal effects of 4-hexylresorcinol, a phenoloxidase (PO) inhibitor, were determined on Hyphantria cunea (Drury) under laboratory conditions. The LC50 for the 15-d-old larvae was estimated to be...

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