530-91-6 (1,2,3,4- 四氢-2-萘酚,1,2,3,4-Tetrahydronaphthalen-2-ol)

快速询单

结构式：

1,2,3,4- 四氢-2-萘酚MOL文件

CAS号：

530-91-6

中文名称：

1,2,3,4- 四氢-2-萘酚

英文名称：

1,2,3,4-Tetrahydronaphthalen-2-ol

安全信息：

分子式：

C₁₀H₁₂O

分子量：

148.201683044434

1,2,3,4- 四氢-2-萘酚(530-91-6)名称与标识符

名称

中文别名：

1,2,3,4- 四氢-2-萘酚;1,2,3,4-4 氢-2-奈酚;1,2,3,4-四氢-2-萘酚;

英文别名：

1,2,3,4-Tetrahydro-2-naphthol;1,2,3,4-tetrahydronaphthalen-2-ol;1,2,3,4-tetrahydro-2-naphthaleno;1,2,3,4-Tetrahydro-2-naphthalenol;1,2,3,4-tetrahydro-2-naphtho;2-hydroxytetraline;2-Naphthalenol, 1,2,3,4-tetrahydro-;2-Naphthol, 1,2,3,4-tetrahydro-;2-tetralinol;Ac-beta-tetralol;2-HYDROXYTETRALIN;beta-Tetralol;Tetrahydronaphthol-2;.beta.-Tetralol;Ac-tetrahydro-beta-naphthol;JWQYZECMEPOAPF-UHFFFAOYSA-N;1,2,3,4-tetrahydro-naphthalen-2-ol;(S)-1,2,3,4-tetrahydronaphthalen-2-ol;WLN: L66&TJ HQ;1,3,4-Tetrahydro-;SCHEMBL291460;2-Naphthol,2,3,4-tetrahydro-;1,3,4-Tetrahydro-2-naphthol;1,2,3,4-TETRAHYDRO-2-NAPHTHOL, (+/-)-;2-HYDROXY-1,2,3,4-TETRAHYDRONAPHTHALENE;.BETA.-TETRALOL [HSDB];AKOS005138106;NSC5669;1,2,3,4-Tetrahydro-2 naphthol;T3763;FT-0612640;NSC44875;UNII-6AE2V413JI;CS-W004310;AI3-05563;2-Naphthalenol,2,3,4-tetrahydro-;MFCD00045575;NSC-44875;SY056861;NS00001787;NSC-5669;Tetralol;6AE2V413JI;3-06-00-02460 (Beilstein Handbook Reference);NSC 44875;2-tetralol;HSDB 5679;AB88871;530-91-6;Z445987178;SCHEMBL13998125;Q27264409;Ac-tetrahydro-.beta.-naphthol;EN300-69633;EINECS 208-497-8;DS-11544;TETRALOL [MI];AMY6059;DTXSID60870589;1,2,3,4-Tetrahydro-2-napthol;BRN 2046968;DB-018712;

标识符

MDL：

MFCD00045575

InChIKey：

JWQYZECMEPOAPF-UHFFFAOYSA-N

Inchi：

1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10-11H,5-7H2

SMILES：

OC1CC2C=CC=CC=2CC1

BRN：

2046968

1,2,3,4- 四氢-2-萘酚(530-91-6)物化性质

实验特性

LogP : 1.53620
PSA : 20.23000
Merck : 9222
折射率 : 1.562-1.564
沸点 : 140°C/12mmHg(lit.)
熔点 : 16°C(lit.)
闪点 : 98.4°C
颜色与性状 : 白色至棕色的粘稠液体
溶解性 : 未确定
密度 : 0.9332 (rough estimate)

计算特性

精确分子量 : 148.08900
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 148.089
重原子数量 : 11
复杂度 : 133
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.3
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 20.2

1,2,3,4- 四氢-2-萘酚(530-91-6)安全信息

符号： GHS07
RTECS号： QL5250000
安全说明： 37/39-26
风险术语： R36/37/38
危险品标志： Xn
危害声明：H302
警示性声明：P264-P270-P301+P312+P330-P501
提示语：警告
危险类别码： 36/37/38-22
毒性： LD50 orally in rats: 1.0 ml/kg (Draize)

1,2,3,4- 四氢-2-萘酚(530-91-6)国际标准相关数据

EINECS：

5679

1,2,3,4- 四氢-2-萘酚(530-91-6)海关数据

海关编码：

2907199090

海关数据：

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

Summary：

2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1,2,3,4- 四氢-2-萘酚(530-91-6)推荐厂家更多厂家(22)

公司名称	手机号/电话	联系人	QQ	询单
上海创赛科技有限公司	15021221957 021-59553580	凌度	2852351983	询单
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上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
上海依赫生物科技有限公司	17721395025 021-68882955	张经理	2423903095	询单

1,2,3,4- 四氢-2-萘酚(530-91-6)合成路线

合成路线：1 步

135-19-3

_81%

530-91-6

825-51-4

反应条件：

1.1 Reagents: Hydrogen Catalysts: Rhodium , Graphite Solvents: Methanol ; 20 - 60 h, 1 atm, rt

参考文献：

Rhodium/graphite-catalyzed hydrogenation of carbocyclic and heterocyclic aromatic compounds

Falini, Giuseppe; et al, Synthesis, 2009, (14), 2440-2446

合成路线：1 步

135-19-3

_38%

530-91-6

825-51-4

反应条件：

1.1 Reagents: Hydrogen Catalysts: dl-Tartaric acid , Hydroxylapatite (Ca5(OH)(PO4)3) , Nickel Solvents: Hexane ; 10 bar, rt → 150 °C; 10 h, 150 °C

参考文献：

Tartaric Acid-Assisted Synthesis of Well-Dispersed Ni Nanoparticles Supported on Hydroxyapatite for Efficient Phenol Hydrogenation

Zhu, Longfei; et al, ACS Sustainable Chemistry & Engineering, 2022, 10(32), 10526-10536

合成路线：1 步

反应条件：

1.1 Reagents: Hydrogen Catalysts: Ruthenium Solvents: Methanol ; rt → 170 °C; 60 min, 14 MPa, 170 °C

参考文献：

Hydrogenation of hydroxy-substituted naphthalenes using Ru and Ni catalysts to desired decalols and decalindiols

Paterova, Iva; et al, Reaction Kinetics, 2019, 126(2), 829-839

1,2,3,4- 四氢-2-萘酚(530-91-6)相关文献

1. Asymmetric transfer hydrogenation of ketones using amino alcohol and monotosylated diamine derivatives of indane
Matthew J. Palmer,Jennifer A. Kenny,Tim Walsgrove,Aparecida M. Kawamoto,Martin Wills J. Chem. Soc. Perkin Trans. 1 2002 416
2. 1031. Hydroxylation. Part II. Electrophilic hydroxylations with trifluoroperoxyacetic acid
A. J. Davidson,R. O. C. Norman J. Chem. Soc. 1964 5404
3. Chemoenzymatic collective synthesis of optically active hydroxyl(methyl)tetrahydronaphthalene-based bioactive terpenoids
Ramesh U. Batwal,Narshinha P. Argade Org. Biomol. Chem. 2015 13 11331
4. Biosynthesis of chiral cyclic and heterocyclic alcohols via CO/C–H/C–O asymmetric reactions
Lei Qin,Lunjie Wu,Yao Nie,Yan Xu Catal. Sci. Technol. 2021 11 2637
5. Platinum catalysed hydrosilylation of propargylic alcohols
Catherine A. McAdam,Mark G. McLaughlin,Adam J. S. Johnston,Jun Chen,Magnus W. Walter,Matthew J. Cook Org. Biomol. Chem. 2013 11 4488
6. Compounds with bridgehead nitrogen. Part 47. The reaction between trans-1-aminobenzocycloalkan-2-ols and formaldehyde
Peter M. R. Barkworth,Trevor A. Crabb,Paul Robinson J. Chem. Soc. Perkin Trans. 1 1983 2807
7. Homogeneous catalysis with polyhydride complexes
Juan C. Babón,Miguel A. Esteruelas,Ana M. López Chem. Soc. Rev. 2022 51 9717
8. Biocatalytic approaches towards the stereoselective synthesis of vicinal amino alcohols
Pankaj Gupta,Neha Mahajan New J. Chem. 2018 42 12296
9. 53. The optical stability of 1 : 2 : 3 : 4-tetrahydro-2-naphthylamine
Alwyn G. Davies,E. E. Edwin,J. Kenyon J. Chem. Soc. 1956 250
10. Reactions of enantiopure cyclic diols with sulfuryl chloride
Derek R. Boyd,Narain D. Sharma,Magdalena Kaik,Peter B. A. M c Intyre,John F. Malone,Paul J. Stevenson Org. Biomol. Chem. 2014 12 2128

1,2,3,4- 四氢-2-萘酚(530-91-6)参考资料

Reaxys RN：

2046968

PubChem CID：

10747

1,2,3,4- 四氢-2-萘酚(530-91-6) MSDS

基础信息

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