61586-78-5 ((1r,2s)-顺式-2-羟基环己烷羧酸乙酯,Cyclohexanecarboxylicacid, 2-hydroxy-, ethyl ester, (1R,2S)-)

快速询单

结构式：

(1r,2s)-顺式-2-羟基环己烷羧酸乙酯MOL文件

CAS号：

61586-78-5

中文名称：

(1r,2s)-顺式-2-羟基环己烷羧酸乙酯

英文名称：

Cyclohexanecarboxylicacid, 2-hydroxy-, ethyl ester, (1R,2S)-

分子式：

C₉H₁₆O₃

分子量：

172.221543312073

(1r,2s)-顺式-2-羟基环己烷羧酸乙酯(61586-78-5)名称与标识符

名称

中文别名：

(1R,2S)-顺式-2-羟基环己烷甲酸乙酯;(1r,2s)-顺式-2-羟基环己烷羧酸乙酯;

英文别名：

Cyclohexanecarboxylicacid, 2-hydroxy-, ethyl ester, (1R,2S)-;(1R,2S)-Ethyl 2-hydroxycyclohexanecarboxylate;Ethyl (1R,2S)-cis-2-hydroxycyclohexanecarboxylate;ETHYL (1R,2S)-CIS-2-HYDROXY-CYCLOHEXANOATE;Ethyl-trans-2-cyanocyclopropancarboxylat;trans-1-Cyan-2-ethoxycarbonyl-cyclopropan;trans-1-Cyano-2-ethoxycarbonyl-cyclopropan;ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate;CS-0172256;AKOS025117426;MFCD00144282;cis-Ethyl 2-hydroxycyclohexanecarboxylate;Cyclohexanecarboxylic acid, 2-hydroxy-, ethyl ester, (1R,2S)-rel-;Cis-2-Hydroxy-cyclohexanecarboxylic acid ethyl ester;61586-78-5;SCHEMBL3343793;DS-8204;cis-Ethyl2-hydroxycyclohexanecarboxylate;Ethyl(1R,2S)-2-hydroxycyclohexane-1-carboxylate;6149-52-6;CIS-ETHYL 2-HYDROXY-CYCLOHEXANECARBOXYLATE;

标识符

InChIKey：

WOGRTPJVNNCUKN-SFYZADRCSA-N

Inchi：

1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1

SMILES：

O[C@H]1CCCC[C@H]1C(=O)OCC

(1r,2s)-顺式-2-羟基环己烷羧酸乙酯(61586-78-5)物化性质

实验特性

LogP : 1.10060
PSA : 46.53000
折射率 : n20/D 1.463

计算特性

精确分子量 : 172.11000
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 3
同位素质量 : 172.109944368g/mol
重原子数量 : 12
复杂度 : 156
同位素原子数量 : 0
确定原子立构中心数量 : 2
不确定原子立构中心数量 : 0
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） : 1.8
拓扑分子极性表面积 : 46.5Å²

(1r,2s)-顺式-2-羟基环己烷羧酸乙酯(61586-78-5)安全信息

WGK Germany： 3

(1r,2s)-顺式-2-羟基环己烷羧酸乙酯(61586-78-5)海关数据

海关编码：

2918199090

海关数据：

中国海关编码：

2918199090

概述：

HS: 2918199090. 其他含醇基但不含其他含氧基羧酸（包括其酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

Summary：

2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

(1r,2s)-顺式-2-羟基环己烷羧酸乙酯(61586-78-5)推荐厂家更多厂家(5)

公司名称	手机号/电话	联系人	QQ	询单
上海一基实业有限公司	13311756131 021-60548336 QQ：2355265332 QQ:2851717387	胡经理	2355265332	询单
上海一基实业有限公司	13311756052 021-60526763 13311756052 13311756131	胡经理	2355265332	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单

(1r,2s)-顺式-2-羟基环己烷羧酸乙酯(61586-78-5)上下游

乙酸乙烯酯 2-环己酮甲酸乙酯 S-methyl cyclohexanone-2-dicarboxylate

(1r,2s)-顺式-2-羟基环己烷羧酸乙酯(61586-78-5) MSDS

基础信息

Name:	ETHYL (1R 2S)-2-HYDROXYCYCLOHEXANECARBOXYLATE Material Safety Data Sheet
Synonym:
CAS:	61586-78-5

Section 1 - Chemical Product ? MSDS Name:ETHYL (1R 2S)-2-HYDROXYCYCLOHEXANECARBOXYLATE Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
61586-78-5	ETHYL (1R,2S)-2-HYDROXYCYCLOHEXANECARB		unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
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.
Notes to Physician:

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.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 61586-78-5: Personal Protective Equipment Eyes: Not available.
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: Not available.
Freezing/Melting Point: Not available.
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: C6H10(OH)COOCH2CH3
Molecular Weight: 172.1102

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 61586-78-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
ETHYL (1R,2S)-2-HYDROXYCYCLOHEXANECARBOXYLATE - Not listed by ACGIH, IARC, or NTP.

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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 61586-78-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 61586-78-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 61586-78-5 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A