Cholest-5-EN-3-one | 601-54-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: Cholest-5-EN-3-one
• 英文别名: Δ⁵-Cholestenon；Δ-5-Cholestenon；Δ5-Cholesteron；Chloest-5-en-3-on；Cholest-5-en-3-on；delta(sup5)-Cholestenone；10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• CAS: 601-54-7；23820-68-0
• 化学式: C₂₇H₄₄O
• 分子量: 384.646
• InChiKey: GGCLNOIGPMGLDB-UHFFFAOYSA-N

物化性质

• 熔点：
  125-127 °C(lit.)
• 沸点：
  451.27°C (rough estimate)
• 密度：
  0.9717 (rough estimate)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2937900090
• 储存条件：
  2-8℃

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 5-Cholesten-3-one
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 601-54-7
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No 1272/2008
Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Synonyms : 3-Keto-5-cholestene
Formula : C27H44O
Molecular Weight : 384,64 g/mol
CAS-No. : 601-54-7
EC-No. : 210-004-6
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 125 - 127 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
Carcinogenicity - mouse - Subcutaneous
Tumorigenic:Carcinogenic by RTECS criteria. Tumorigenic:Tumors at site or application.
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available

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SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Further information
Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  Cholest-5-EN-3-one 以95%的产率得到
  参考文献：
  名称：

  GALLOIS PH.; BRUNET J.-J.; CAUBERE P., J. ORG. CHEM , 1980, 45, NO 10, 1946-1950

  摘要：

  DOI：
• 作为产物：
  描述：

  cholesterol 在 C₆H₁₂N₂*2ClCrO₃^(1-)*2H⁽¹⁺⁾ 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以95%的产率得到Cholest-5-EN-3-one
  参考文献：
  名称：

  DABCO-bis-CC: An Efficient Alternative to PCC

  摘要：

  我们已经开发出一种新型铬基试剂“DABCO−bis-CC”，它能够直接高效地将醇氧化成相应的羰基化合物。现有结果表明，在室温下，包括伯醇、仲醇、脂肪醇、苄醇及杂环醇在内的广泛范围的醇均可以作为该反应的底物。

  DOI：

  10.2174/1570178614666171002150415

文献信息

• Stereoselective debromination and selective reduction of <i>vic</i>-dibromides with nickel boride
  作者：Jitender M Khurana、Bhaskar M Kandpal、Gagan Kukreja、Purnima Sharma

  DOI：10.1139/v06-125

  日期：2006.8.1

  A simple procedure is reported for the stereoselective debromination of vic-dibromides with nickel boride at ambient temperature. Debromination with concomitant reduction of vic-dibromides to give dihydro products in a one-pot reaction is also reported. α,β-Dibromoketones can also be converted to their corresponding alcohols.Key words: debromination, vic-dibromides, stereoselective, reduction, E-alkenes.

  报告了在常温下用硼化物镍对沧二溴化物进行立体选择性脱溴反应的简单程序。此外，还报道了脱溴同时还原沧二溴化物以得到二氢化产物的一锅反应。α，β-二溴酮也可以转化为相应的醇。
• Palladium-catalyzed reduction of enol triflates to alkenes
  作者：Sandro Cacchi、Enrico Morera、Giorgio Ortar

  DOI：10.1016/s0040-4039(01)81529-x

  日期：——

  Enol triflates react with trialkylammonium formate-palladium reagent to give alkenes.

  烯醇三氟甲磺酸酯与甲酸三烷基铵甲酸钯试剂反应生成烯烃。
• Use of endogenous metabolites for early diagnosing sepsis
  申请人：BIOCRATES Life Sciences AG

  公开号：EP2339352A1

  公开（公告）日：2011-06-29

  The present invention relates to a use of one or a plurality of endogenous target metabolites for predicting a likelihood of an onset of a sepsis from a biological sample of a mammalian subject in vitro, wherein said endogenous target metabolites have a molecular mass less than 1500 Da and are selected from the group of oxysterols.

  本发明涉及使用一种或多种内源性目标代谢物来预测体外哺乳动物生物样本中败血症发生的可能性，其中所述内源性目标代谢物的分子质量小于 1500 Da，并且选自氧甾醇组。
• Method of diagnosing and treating asphyxia
  申请人：InfanDx AG

  公开号：US11313866B2

  公开（公告）日：2022-04-26

  A method for in vitro diagnosing asphyxia and disorders related thereto, a method of in vitro estimating duration of hypoxia in a patient subjected to asphyxia, and a method for in vitro monitoring of normoxic, hypoxic and hyperoxic conditions and/or normobaric and hyperbaric oxygen therapy, includes quantitatively detecting in a biological sample of a patient a plurality of asphyxia specific endogenous compounds which are selected from the group consisting of biogenic amines; carnitine-derived compounds; amino acids; bile acids; carboxylic acids; eicosanoids; lipids; precursors of cholesterol, cholesterol metabolites; prostanoids; and sugars.

  一种体外诊断窒息和相关疾病的方法，一种体外估计窒息患者缺氧持续时间的方法，以及一种体外监测常氧、缺氧和高氧条件和/或常压氧和高压氧治疗的方法，包括定量检测患者生物样本中多种窒息特异性内源性化合物，这些化合物选自由生物胺组成的组；氨基酸、胆汁酸、羧酸、二十酸、脂类、胆固醇前体、胆固醇代谢物、前列腺素和糖类。
• Method of Diagnosing Asphyxia
  申请人：Keller Matthias

  公开号：US20120136581A1

  公开（公告）日：2012-05-31

  A method for in vitro diagnosing asphyxia and disorders related thereto, a method of in vitro estimating duration of hypoxia in a patient subjected to asphyxia, and a method for in vitro monitoring of normoxic, hypoxic and hyperoxic conditions and/or normobaric and hyperbaric oxygen therapy, includes quantitatively detecting in a biological sample of a patient a plurality of asphyxia specific endogenous compounds which are selected from the group consisting of biogenic amines; carnitine-derived compounds; amino acids; bile acids; carboxylic acids; eicosanoids; lipids; precursors of cholesterol, cholesterol metabolites; prostanoids; and sugars.