松脂醇

松脂醇 基本信息
CAS号 8006-39-1 分子式 C10H18O
分子量 154.24900 精确质量 　154.13600
PSA 　20.23000 LogP 　2.50370
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目录
基本信息 制备方法与用途 物化性质 安全信息 毒性 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
8006-39-1
分子式：
C10H18O
分子量：
154.24900
中文名称：
松脂醇
英文名称：
TERPINEOL
中文别名：
松脂醇;
松油醇(异构体混合物)
英文别名：
TERPINEOL;
mixtureofp-methenols;
terpineols;
TERPINEOL CP;
FEMA 3045;
terpineol anhydrous, mixture of isomers;
Terpineol,mixtureofisomers;
abietinal;
abietinol
精确分子量/精确质量：
154.13600
极性分子表面积/PSA：
20.23000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
EINECS：
232-268-1

生产制备方法及用途展开↓

制备方法

松油醇天然存在于松节油、香叶油、松针油等,工业上以松节油或异戊二烯为原料制备。 硫酸催化两步法:在30%舶硫酸作用下松节油中的蒎烯生成水合萜二醇结晶沉淀,分离后在0.2%的硫酸催化下脱水生成松油醇,分层分离得粗醇,经减压蒸馏得成品。 如采用相转移催化法,则效果更好。将33g松节油、50g80%的硫酸、0.lg三乙基苄基氯化铵(TEBA)和1mL10%的平平加水溶液加入烧瓶,在12~14℃下快速搅拌反应12h。得白色粉末状萜二醇25.6g,产率58.7%。 将24g萜二醇、48mL0.2%的硫酸加入烧瓶,在102～105℃下搅拌反应4～5h。静置除去水层,油层用3%的氢氧化钠溶液中和、静置、分层得18.2g黄色油状液体。减压蒸馏,收集190~200℃(90kPa)馏分,得精品15.5g,收率73%。 异戊二烯与丁烯酮缩合,然后与格氏试剂反应制得松油醇。 磷酸催化一步法:75mL的松节油(含β-蒎烯91%)和75mL 30%磷酸水溶液,在70℃下强烈搅拌反应16h。反应液冷却静置,分出水层,油层用稀NaOH水溶液中和至中性,分去水层,再用少量食盐水洗涤,最后经无水硫酸钠干燥后减压蒸馏得成品。

合成制备方法

松油醇天然存在于松节油、香叶油、松针油等，工业上以松节油或异戊二烯为原料制备。
硫酸催化两步法：在30%舶硫酸作用下松节油中的蒎烯生成水合萜二醇结晶沉淀，分离后在0.2%的硫酸催化下脱水生成松油醇，分层分离得粗醇，经减压蒸馏得成品。
如采用相转移催化法，则效果更好。将33g松节油、50g80%的硫酸、0.lg三乙基苄基氯化铵(TEBA)和1mL10%的平平加水溶液加入烧瓶，在12~14℃下快速搅拌反应12h。得白色粉末状萜二醇25.6g，产率58.7%。
将24g萜二醇、48mL0.2%的硫酸加入烧瓶，在102～105℃下搅拌反应4～5h。静置除去水层，油层用3%的氢氧化钠溶液中和、静置、分层得18.2g黄色油状液体。减压蒸馏，收集190~200℃(90kPa)馏分，得精品15.5g，收率73%。
异戊二烯与丁烯酮缩合，然后与格氏试剂反应制得松油醇。
磷酸催化一步法：75mL的松节油(含β-蒎烯91%)和75mL 30%磷酸水溶液，在70℃下强烈搅拌反应16h。反应液冷却静置，分出水层，油层用稀NaOH水溶液中和至中性，分去水层，再用少量食盐水洗涤，最后经无水硫酸钠干燥后减压蒸馏得成品。

 

用途简介

松油醇是我国规定允许使用的食用香料,主要用于柠檬、甜橙、草莓、桃等水果香精中。用量按正常生产需要,一般在口香糖中40mg/kg;调味料中38mg/kg;烘烤食品中19mg/kg;冷饮中16mg/kg;糖果中14mg/kg;布丁类中12~16mg/kg软饮料中5.4mg/kg。

用途

松油醇是我国规定允许使用的食用香料，主要用于柠檬、甜橙、草莓、桃等水果香精中。用量按正常生产需要，一般在口香糖中40mg/kg；调味料中38mg/kg；烘烤食品中19mg/kg;冷饮中16mg/kg；糖果中14mg/kg；布丁类中12~16mg/kg软饮料中5.4mg/kg。

物化性质展开↓

外观与性状：
略粘性透明液体
密度：
0.937
熔点：
18ºC
沸点：
214-224ºC
闪点：
95ºC
折射率：
n20/D 1.484
存储条件/存储方法：
库房通风低温干燥
其它信息：

1.      性状：无色稠厚液体，具有紫丁香花的香气

2.      密度（g/mL 25ºC）：0.934

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC常压）：未确定

5.      沸点（ºC，常压）：213-218

6.      沸点（ºC,5.2kPa）：未确定

7.      折射率（n20/D）：1.484

8.      闪点（ºC，）：未确定

9.      比旋光度（º）：未确定

10.   自燃点或引燃温度（ºC）：未确定

11.   蒸气压（kPa,25ºC）：未确定

12.   饱和蒸气压（kPa,60ºC）：未确定

13.   燃烧热（KJ/mol）：未确定

14.   临界温度（ºC）：未确定

15.   临界压力（KPa）：未确定

16.   油水（辛醇/水）分配系数的对数值（25℃）：未确定

17.   爆炸上限（%,V/V）：未确定

18.   爆炸下限（%,V/V）：未确定

19.   溶解性(mg/mL) ：易溶于乙醇、丙酮、氯仿、乙醚和苯等有机溶剂，不溶于水

安全信息展开↓

危险类别码：
R38
安全说明：
26
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
危险标志：
Xi: Irritant;

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WZ6600000
CHEMICAL NAME :
Terpineol
CAS REGISTRY NUMBER :
8006-39-1
LAST UPDATED :
199504
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C10-H18-O
MOLECULAR WEIGHT :
154.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,997,1974 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,997,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1360 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SIZSAR Sapporo Igaku Zasshi. Sapporo Medical Journal. (Sapporo Igaku Daigaku, Nishi-17-chome, Minami-1-jo, Chuo-ku, Sapporo 060, Japan) V.3- 1952- Volume(issue)/page/year: 3,73,1952 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0240 No. of Facilities: 287 (estimated) No. of Industries: 4 No. of Occupations: 4 No. of Employees: 1050 (estimated) No. of Female Employees: 42 (estimated)
毒理学数据：

急性毒性：人经口LD503～4g/kg，大白鼠经口LD504.3g/kg，ADI1mg/kg(CE)。

MSDS 展开↓

Name: Terpineol Material Safety Data Sheet
Synonym: 3-cyclohexene-1-methanol; terpeno
CAS: 8006-39-1
Section 1 - Chemical Product   MSDS Name:Terpineol Material Safety Data Sheet
Synonym:3-cyclohexene-1-methanol; terpeno
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
8006-39-1 Terpineol 100 232-268-1
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.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause kidney damage. May cause central nervous system depression, characterized by excitement, followed by headache, dizziness, drowsiness, and nausea. Advanced stages may cause collapse, unconsciousness, coma and possible death due to respiratory failure.
Inhalation:
May cause respiratory tract irritation. May cause effects similar to those described for ingestion.
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 immediately.
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.
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:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant 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. Sweep up, then place into a suitable container for disposal. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.
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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 8006-39-1: 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 gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: 0.1 mm Hg @ 37.7C
Viscosity: Not available.
Boiling Point: 214-224C
Freezing/Melting Point: 31-35C
Autoignition Temperature: Not applicable.
Flash Point: 193 deg F ( 89.44 deg C)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Very sightly soluble in water
Specific Gravity/Density: 0.93
Molecular Formula: C10H18O
Molecular Weight: 154.1254
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, acid chlorides, acid anhydrides.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 8006-39-1: WZ6600000 LD50/LC50:
CAS# 8006-39-1: Draize test, rabbit, skin: 500 mg/24H Moderate; Oral, rat: LD50 = 4300 mg/kg.
Carcinogenicity:
Terpineol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.
Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
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:
WGK (Water Danger/Protection)
CAS# 8006-39-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 8006-39-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 8006-39-1 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:1.8

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积20.2

7.重原子数量:11

8.表面电荷:0

9.复杂度:168

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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