1,2,3,4-四氢-2-萘酚

1,2,3,4-四氢-2-萘酚 基本信息
CAS号 530-91-6 分子式 C10H12O
分子量 148.20200 精确质量  148.08900
PSA  20.23000 LogP  1.53620

等价的CAS号:

530-91-6,7575-89-5,20107-40-8,113725-16-9

基本信息 展开↓

CAS号:
530-91-6
3D弹球模型:
立即前往扯扯看
分子式:
C10H12O
分子量:
148.20200
中文名称:
1,2,3,4-四氢-2-萘酚
英文名称:
1,2,3,4-Tetrahydro-2-naphthol
中文别名:
1,2,3,4-四氢-2-萘酚;
1,2,3,4-4氢-2-奈酚
英文别名:
1,2,3,4-Tetrahydro-2-naphthol;
1,2,3,4-Tetrahydronaphthalen-2-ol;
1,2,3,4-tetrahydronaphthalen-2-ol
精确分子量/精确质量:
148.08900
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。
贝尔斯坦号/MDL:
MFCD00045575
EINECS:
208-497-8
BRN:
2046968
InChI:
The Key: JWQYZECMEPOAPF-SNVBAGLBSA-N

物化性质展开↓

密度:
1.112g/cm3
熔点:
15.5ºC
沸点:
140ºC (12 mmHg)
闪点:
98.4ºC
折射率:
1.562-1.564
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。

稳定性相关:

 1. 存在于烟气中。

其它信息:

1.      性状:白色至棕色的粘稠液体

2.      密度(g/mL,25℃):1.112

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):15.5

5.      沸点(ºC,常压):130(66.65pa)

6.      沸点(ºC,12mmHg):140

7.      折射率(n20/D):1.584

8.      闪点(ºC):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(kPa,25 ºC):未确定

12.   饱和蒸气压(kPa,25ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

安全信息展开↓

海关代码:
2907199090
危险类别码:
R36/37/38
安全说明:
37/39-26
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xn: Harmful;

合成路线查看所有的合成路线

  • 530-93-8

    β-四氢萘酮

  • ~99%

  • 530-91-6

    1,2,3,4-四氢-2-萘酚

  • 135-19-3

    2-萘酚

  • ~94%

  • 530-91-6

    1,2,3,4-四氢-2-萘酚

  • 135-19-3

    2-萘酚

  • ~79%

  • 530-91-6

    1,2,3,4-四氢-2-萘酚

  • +

  • 825-51-4

    十氢化-2-萘酚

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QL5250000
CHEMICAL NAME :
2-Naphthol, 1,2,3,4-tetrahydro-
CAS REGISTRY NUMBER :
530-91-6
BEILSTEIN REFERENCE NO. :
2046968
LAST UPDATED :
199709
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C10-H12-O
MOLECULAR WEIGHT :
148.22
WISWESSER LINE NOTATION :
L66&TJ HQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2800 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>4 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
90 mL/kg/13W-I
TOXIC EFFECTS :
Skin and Appendages - dermatitis, other (after systemic exposure) Related to Chronic Data - death
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,26,1948
毒理学数据:

1、急性毒性:大鼠经口LD50:1mL/kg;小鼠经口LD50:2mL/kg;兔子经口LD50:2800μL/kg;兔子经皮肤接触LD50:>4mL/kg;豚鼠经口LD50:1mL/kg;

2、其他多剂量毒性:兔子经皮肤接触TDLo:90mL/kg/13W-I。

MSDS 展开↓

Name: 1 2 3 4-Tetrahydro-2-naphthol 97% Material Safety Data Sheet
Synonym: 1,2,3,4-tetrahydro- ; 1,2,3,4-tetrahydro-2-naphthol ; tetralol ; beta-tetralo
CAS: 530-91-6
Section 1 - Chemical Product   MSDS Name:1 2 3 4-Tetrahydro-2-naphthol 97% Material Safety Data Sheet
Synonym:1,2,3,4-tetrahydro- ; 1,2,3,4-tetrahydro-2-naphthol ; tetralol ; beta-tetralo

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
530-91-6 1,2,3,4-Tetrahydro-2-naphthol 97% 208-497-8
Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid if cough or other symptoms appear.
Notes to Physician:
Antidote: None reported.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 530-91-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 140 deg C @ 12.00mm Hg
Freezing/Melting Point: 15.5 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H12O
Molecular Weight: 148.20

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
No information found.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
None reported.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 530-91-6: QL5250000 LD50/LC50:
CAS# 530-91-6: Oral, mouse: LD50 = 2 mL/kg; Oral, rabbit: LD50 = 2800 uL/kg; Oral, rat: LD50 = 1 mL/kg; Skin, rabbit: LD50 = >4 mL/kg.
Carcinogenicity:
1,2,3,4-Tetrahydro-2-naphthol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 530-91-6: No information available.
Canada
CAS# 530-91-6 is listed on Canada's NDSL List.
CAS# 530-91-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 530-91-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2907199090

概述:
2907199090 其他一元酚. 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:
2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


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:1

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积20.2

7.重原子数量:11

8.表面电荷:0

9.复杂度:133

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:1

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

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