(+/-)-formic acid-[2exo]norbornyl ester | 41498-71-9

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (+/-)-formic acid-[2exo]norbornyl ester
• 英文别名: (+/-)-Ameisensaeure-[2exo]norbornylester；(+/-)-2exo-Formyloxy-norbornan；exo-2-bicyclo(2.2.1)heptyl-formate；exo-2-norbornyl formate；Rel-(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl formate；[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl] formate
• CAS: 41498-71-9
• 化学式: C₈H₁₂O₂
• 分子量: 140.182
• InChiKey: SGXIEZNAOCVSKO-XLPZGREQSA-N

物化性质

• 沸点：
  65-67 °C16 mm Hg(lit.)
• 密度：
  1.048 g/mL at 25 °C(lit.)
• 闪点：
  129 °F
• LogP：
  1.910 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  3.2
• 安全说明：
  S16
• 危险类别码：
  R10
• WGK Germany：
  3
• 危险品运输编号：
  UN 3272 3/PG 3
• 包装等级：
  III
• 危险类别：
  3.2

SDS

Name:	exo-2-Norbornyl formate 99% Material Safety Data Sheet
Synonym:
CAS:	41498-71-9

Section 1 - Chemical Product MSDS Name:exo-2-Norbornyl formate 99% Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
41498-71-9	exo-2-Norbornyl formate	99%	255-412-5

Hazard Symbols: F
Risk Phrases: 10

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Flammable.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
No information regarding eye irritation and other potential effects was found.
Skin:
No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
The toxicological properties of this substance have not been fully investigated.
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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
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 immediately.
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. Vapors can travel to a source of ignition and flash back. Use water spray to keep fire-exposed containers cool. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Vapors may form an explosive mixture with air. Containers may explode when heated.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water. For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray. For small fires, use carbon dioxide, dry chemical, dry sand, or alcohol-resistant foam. Cool containers with flooding quantities of water until well after fire is out.

---

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. Remove all sources of ignition. A vapor suppressing foam may be used to reduce vapors. Water spray may reduce vapor but may not prevent ignition in closed spaces.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Ground and bond containers when transferring material. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 41498-71-9: 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: 65 - 67 deg C @ 16.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 53 deg C ( 127.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0480g/cm3
Molecular Formula: C8H12O2
Molecular Weight: 140.18

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
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# 41498-71-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
exo-2-Norbornyl formate - 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
Shipping Name: FLAMMABLE LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: III
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1993
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: III

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F
Risk Phrases:
R 10 Flammable.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
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# 41498-71-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 41498-71-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 41498-71-9 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (+/-)-formic acid-[2exo]norbornyl ester 在 氢氧化钾 作用下， 生成 exo-2-norbornanol
  参考文献：
  名称：

  Kleinfelter et al., Organic syntheses. Collective volume, 1973, vol. V, p. 852,854

  摘要：

  DOI：
• 作为产物：
  描述：

  甲酸 、 双环[2.2.1]庚-1-烯 在 boron fluoride ether 作用下， 生成 (+/-)-formic acid-[2exo]norbornyl ester
  参考文献：
  名称：

  Some Reactions of 2,5-Norbornadiene (Bicyclo[2.2.1]-2,5-heptadiene)¹

  摘要：

  DOI：

  10.1021/ja01593a047

文献信息

• Dual behavior of alcohols in iodine-catalyzed esterification under solvent-free reaction conditions
  作者：Marjan Jereb、Dejan Vražič、Marko Zupan

  DOI：10.1016/j.tetlet.2009.02.224

  日期：2009.5

  solvent-free reaction conditions (SFRCs) is described; the governing factor is the stability of the carbonium ion generated from the alcohol; high concentration reaction conditions (HCRCs) or dilute solutions are much less suitable. In the case of benzylic alcohols, loss of optical activity was noted, whereas alkyl alcohols furnished a product with retention of stereochemistry.

  描述了醇在无溶剂反应条件下（SFRCs）在碘催化的酯化反应中的双重行为现象；控制因素是由醇产生的碳离子的稳定性。高浓度反应条件（HCRC）或稀溶液不太适合。在苯甲醇中，注意到光学活性的损失，而烷基醇提供了保留立体化学的产物。
• MELT-MOLDABLE THERMOPLASTIC NORBORNENE RESIN COMPOSITION AND MOLDED ARTICLE AND OPTICAL FILM BOTH COMPRISING THE SAME
  申请人：SEKISUI CHEMICAL CO., LTD.

  公开号：EP1331245A1

  公开（公告）日：2003-07-30

  A melt-moldable, thermoplastic norbornene resin composition characterized by being obtained by compounding (A) a base polymer comprising a thermoplastic norbornene resin with (B) an olefin compound having a number-average molecular weight of 200 to 10,000 and a softening point of 70 to 170°C; and a molded article or optical film obtained by melt-molding or extrusion-molding the thermoplastic norbornene resin composition.

  一种可熔模铸造的热塑性降冰片烯树脂组合物，其特征在于通过将(A)由热塑性降冰片烯树脂组成的基础聚合物与(B)具有 200 至 10,000 数均分子量和 70 至 170°C 软化点的烯烃化合物共混而获得；以及通过熔模铸造或挤压成型该热塑性降冰片烯树脂组合物而获得的模塑制品或光学薄膜。
• Dermatological compositions and methods
  申请人：Brown A. David

  公开号：US20060120976A1

  公开（公告）日：2006-06-08

  Disclosed are methods and compositions for regulating the melanin content of mammalian melanocytes; regulating pigmentation in mammalian skin, hair, wool or fur; treating or preventing various skin and proliferative disorders; by administration of various compounds, including alcohols, diols and/or triols and their analogues.

  所公开的方法和组合物用于调节哺乳动物黑色素细胞的黑色素含量；调节哺乳动物皮肤、毛发、羊毛或皮毛的色素沉着；治疗或预防各种皮肤和增殖性疾病；施用各种化合物，包括醇、二醇和/或三醇及其类似物。
• Ruthenium complex-catalyzed novel transformation of alkyl formates
  作者：Teruyuki Kondo、Satoshi Kajiya、Supawan Tantayanon、Yoshihisa Watanabe

  DOI：10.1016/0022-328x(94)05150-a

  日期：1995.3

  The following ruthenium-catalyzed novel transformations of alkyl formates have been developed: (1) selective decarbonylation of alkyl formates to the corresponding alcohols; (2) alkylation of arenes and alkenes using alkyl formates as an alkylating reagent via decarboxylation. Also the ruthenium-catalyzed addition of alcohols to alkenes has been developed as an appendant reaction, providing an effective method for the protection of alcohols.
• Aryl Norbornane Derivatives. I. Preparation of Compounds^1,2
  作者：DONALD C. KLEINFELTER、PAUL Von R. SCHLEYER

  DOI：10.1021/jo01068a029

  日期：1961.10