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2785-87-7生产厂家

2785-87-7价格

2785-87-7

2785-87-7结构式
2785-87-7结构式

化源商城直购

中文名 二氢丁香酚
英文名 2-methoxy-4-propylphenol
中文别名 2-甲氧基-4-丙基-苯酚
英文别名 p-Propylguaiacol
Coerulignol
Phenol,2-methoxy-4-propyl
Cerulignol
4-n-propylguaiacol
Dihydroeugenol
4-Propylguaiacol
Guaiacylpropane
密度 1.038
沸点 125-126ºC14 mm Hg(lit.)
熔点 16°C
分子式 C10H14O2
分子量 166.21700
闪点 113ºC
精确质量 166.09900
PSA 29.46000
LogP 2.35330
外观性状 无色透明液体
蒸汽压 0.00624mmHg at 25°C
折射率 1.522
储存条件 室温
稳定性

1. 存在于香料烟烟叶中。

2. 稳定性好,不易变色。

分子结构

1、 摩尔折射率:48.99

2、 摩尔体积(cm3/mol):161.1

3、 等张比容(90.2K):395.3

4、 表面张力(dyne/cm):36.1

5、 极化率(10-24cm3):19.42

计算化学

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:3

6.拓扑分子极性表面积29.5

7.重原子数量:12

8.表面电荷:0

9.复杂度:125

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

更多

1. 沸点(ºC):250

2. 熔点(ºC):16

3. 相对密度(d204) :1.04

4. 性状:有浓郁辛辣的甜味,并略带花香和香脂气息。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL8050000
CHEMICAL NAME :
Phenol, 2-methoxy-4-propyl-
CAS REGISTRY NUMBER :
2785-87-7
BEILSTEIN REFERENCE NO. :
1866292
LAST UPDATED :
199701
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C10-H14-O2
MOLECULAR WEIGHT :
166.24
WISWESSER LINE NOTATION :
QR D3 BO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,671,1982 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,671,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,671,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1450 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change
REFERENCE :
SIZSAR Sapporo Igaku Zasshi. Sapporo Medical Journal. (Sapporo Igaku Daigaku, Nishi-17-chome, Minami-1-jo, Chuo-ku, Sapporo 060, Japan) V.3- 1952- Volume(issue)/page/year: 3,73,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
310 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,671,1982

符号 GHS06
GHS06
信号词 Danger
危害声明 H311-H315
警示性声明 P280-P312
个人防护装备 Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
危害码 (欧洲) T: Toxic;
风险声明 (欧洲) R24;R38
安全声明 (欧洲) 36/37-45
危险品运输编码 UN 2810
WGK德国 2
RTECS号 SL8050000
包装等级 III
危险类别 6.1(b)
海关编码 3302900000

1. 烟草:OR,26;可由丁香酚催化加氢制得。

海关编码 3302900000