515-00-4 (桃金娘醇,Myrtenol)

桃金娘醇(515-00-4)名称与标识符

名称

中文别名:
桃金娘醇;(-)-桃金娘烯醇;6,6-二甲基二环[3.1.1]庚-2-烯-2-甲醇;桃金娘烯醇;
英文别名:
Bicyclo[3.1.1]hept-2-ene-2-methanol,6,6-dimethyl-;(-)-pin-2-ene-10-ol;2-Pinen-10-ol;6,6-dimethyl-2-oxymethlybicyclo[1.1.3]-hept-2-ene (myrtenol);6,6-Dimethyl-bicyclo[3,1,1]hept-2-ene-2-methanol;Myrtenol;Myrtenol (α-pinene-10-ol);6,6-Dimethyl-2-(hydroxymethyl)bicyclo[3.1.1]hept-2-ene;6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-methanol;NSC 408846;alpha-Pinene-10-ol;

标识符

InChIKey:
RXBQNMWIQKOSCS-UHFFFAOYSA-N
Inchi:
1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3
SMILES:
CC1(C2C(=CCC1C2)CO)C

桃金娘醇(515-00-4)物化性质

实验特性

  • LogP : 1.97110
  • PSA : 20.23000
  • 折射率 : 1.49777 (589.3 nm 20 ºC)
  • 沸点 : 222-224 ºC
  • 闪点 : 89.4±0.0 ºC,
  • FEMA : 3439 | MYRTENOL
  • 溶解度 : 微溶 (3.7 g/L) (25 ºC),
  • 颜色与性状 : 无色液体,有木香、草香、和辛香香气。
  • 溶解性 : 不溶于水
  • 密度 : 0.990 g/cm3 (20 ºC)

计算特性

  • 精确分子量 : 152.12000
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 1
  • 同位素质量 : 152.120115
  • 重原子数量 : 11
  • 复杂度 : 203
  • 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 : 2
  • 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) : 1.6
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 20.2

桃金娘醇(515-00-4)安全信息

桃金娘醇(515-00-4)国际标准相关数据

EINECS:
208-193-5

桃金娘醇(515-00-4)海关数据

海关编码:
2906199090
海关数据:

中国海关编码:

2906199090

概述:

2906199090. 其他环烷醇,环烯醇及环萜烯醇. 增值税率:17.0%. 退税率:13.0%. 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:

2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

桃金娘醇(515-00-4)生产方法和用途

用途:
1.可用于薰衣草、柑橘型香精。 2. 可用于日化香精中。
生产方法:
1. 烟草:FC,18。 2. 将β-蒎烯氯化、成酯、水解制取桃金娘烯醇 3. 将β-蒎烯先经光敏氧化,生成相应的氢过氧化物,再还原得到 ...

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桃金娘醇(515-00-4)相关文献

桃金娘醇(515-00-4) MSDS

基础信息

Name:(-)-Myrtenol 97+% Material Safety Data Sheet
Synonym:(-)-Pin-2-ene-10-ol; Bicyclo[3.1.1]hept-2-ene-, 6,6-dimethyl-2-(hydroxymethyl)-; Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-
CAS:515-00-4
Section 1 - Chemical Product ? MSDS Name:(-)-Myrtenol 97+% Material Safety Data Sheet
Synonym:(-)-Pin-2-ene-10-ol; Bicyclo[3.1.1]hept-2-ene-, 6,6-dimethyl-2-(hydroxymethyl)-; Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
515-00-4(-)-Myrtenol>97208-193-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Combustible liquid and vapor.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Water may be ineffective. Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Cover with sand, dry lime or soda ash and place in a closed container for disposal. Remove all sources of ignition.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Keep away from heat and flame.
Storage:
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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 515-00-4: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Clear liquid
Color: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: viscous
Boiling Point: 221 - 222 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: 89 deg C ( 192.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: .9820 g/cm3
Molecular Formula: C10H16O
Molecular Weight: 152.24

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Ignition sources, excess heat.
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# 515-00-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(-)-Myrtenol - 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
Not regulated as a hazardous material.

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# 515-00-4: No information available.
Canada
CAS# 515-00-4 is listed on Canada's DSL List.
CAS# 515-00-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 515-00-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A