4497-92-1

4497-92-1结构式

常用中文名：蒈烯
常用英文名：delta-2-carene
CAS号：4497-92-1
分子式：C₁₀H₁₆
分子量：136.23400
相关类别：研究领域癌症
发布时间：2018-09-26 21:42:56
更新时间：2024-01-02 21:57:40
(+)-2-Carene 是 2-Carene 的异构体。2-Carene 是一种天然存在的双环单萜烯,具有抗炎、抗菌、抗氧化、抗肿瘤和抗过敏活性,以及神经保护、心脏保护和肝脏保护作用。(+)-2-Carene 可经过多重异构化途径获得。

中文名	(+)-2-蒈烯
英文名	(+)-2-carene
中文别名	蒈烯 (1S)-3,7,7-三甲基二环[4.1.0]庚-2-烯
英文别名	EINECS 224-792-4 MFCD00066416

描述	(+)-2-Carene 是 2-Carene 的异构体。2-Carene 是一种天然存在的双环单萜烯,具有抗炎、抗菌、抗氧化、抗肿瘤和抗过敏活性,以及神经保护、心脏保护和肝脏保护作用。(+)-2-Carene 可经过多重异构化途径获得。
相关类别	研究领域 >> 癌症信号通路 >> 其他 >> 其他研究领域 >> 炎症/免疫
参考文献	[1]. Acharya S P, et al.Hydroboration of Terpenes. III. Isomerization of (+)-3-Carene to (+)-2-Carene. Hydroboration of (+)-2-Carene ([UNK] 4-Carene). Nuclear Magnetic Resonance Spectra with Absolute Configurational and Conformational Assignments for the 2-Caranols and 2-Caranones[J]. Journal of the American Chemical Society, 1967, 89(8): 1925-1932. [2]. Santelli-Rouvier C, et al.Carbonylation of (+)-2-carene induced by iron-pentacarbonyl[J]. Tetrahedron letters, 1985, 26(9): 1213-1216.

密度	0.879g/cm3
沸点	167.5ºC at 760mmHg
熔点	25°C (estimate)
分子式	C₁₀H₁₆
分子量	136.23400
闪点	38.3ºC
精确质量	136.12500
LogP	2.99870
折射率	n20/D 1.476(lit.)
储存条件	避光，通风干燥处，密封保存
稳定性	常温常压下稳定，易燃，具有刺激性。避免吸入本品蒸气，避免与眼睛、皮肤接触。
分子结构	1、摩尔折射率：43.96 2、摩尔体积（cm³/mol）：154.9 3、等张比容（90.2K）：347.5 4、表面张力（dyne/cm）：25.3 5、介电常数（F/m）：2.58 6、极化率（10^-24cm³）：17.42
计算化学	1、疏水参数计算参考值（XlogP）：4.2 2、氢键供体数量：0 3、氢键受体数量：0 4、可旋转化学键数量：0 5、拓扑分子极性表面积（TPSA）：0 6、重原子数量：10 7、表面电荷：0 8、复杂度：186 9、同位素原子数量：0 10、确定原子立构中心数量：2 11、不确定原子立构中心数量：0 12、确定化学键立构中心数量：0 13、不确定化学键立构中心数量：0 14、共价键单元数量：1
更多	1. 性状：无色油状液体，有松节油的气味。 2. 密度（g/ml,30/30°C）：0.8586 3. 相对密度（20℃，4℃）：0.8601 4. 熔点（ºC）：不确定 5. 沸点（ºC,常压）：167 6. 沸点（ºC,5mmHg）：不确定 7. 折射率：1.4745 8. 常温折射率（n²⁵）：1.4717³⁰ 9. 比旋光度（º）：+7.7 10. 自燃点或引燃温度（ºC）：不确定 11. 蒸气压（kPa,20ºC）：不确定 12. 饱和蒸气压（kPa,60ºC）：不确定 13. 燃烧热（KJ/mol）：不确定 14. 临界温度（ºC）：不确定 15. 临界压力（KPa）：不确定 16. 油水（辛醇/水）分配系数的对数值：不确定 17. 爆炸上限（%,V/V）：不确定 18. 爆炸下限（%,V/V）：不确定 19. 溶解性：溶于乙醚、丙酮、苯、乙酸和油类，不溶于水。

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: (+)-2-Carene
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.: 4497-92-1

SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Flammable liquids (Category 3), H226
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
R10
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordWarning
Hazard statement(s)
Flammable liquid and vapour.
Precautionary statement(s)none
Supplemental Hazardnone
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Formula: C10H16
Molecular Weight: 136,23 g/mol
CAS-No.: 4497-92-1
EC-No.: 224-792-4
No components need to be disclosed according to the applicable regulations.
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
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

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large
fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or
spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of
water.
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
Use water spray to cool unopened containers.

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid breathing vapours, mist or gas. Remove all sources of ignition. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
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. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses 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.
Full contact
Material: Nitrile rubber
Minimum layer thickness: 0,4 mm
Break through time: 480 min
Splash contact
Material: Nature latex/chloroprene
Minimum layer thickness: 0,6 mm
Break through time: 30 min
test method: EN374
If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
contact the supplier of the CE approved gloves. This recommendation is advisory only and must
be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
anticipated use by our customers. It should not be construed as offering an approval for any
specific use scenario.
Body Protection
impervious clothing, Flame retardant antistatic protective clothing, The type of protective
equipment must be selected according to the concentration and amount of the dangerous
substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: clear, liquid
Colour: colourless
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingno data available
point
f) Initial boiling point and 167 - 168 °C
boiling range
g) Flash point38 °C - closed cup
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative density0,862 g/mL at 25 °C
n) Water solubilityno data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

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
Heat, flames and sparks.
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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
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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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

SECTION 13: Disposal considerations
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company. Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: 2319IMDG: 2319IATA: 2319
UN proper shipping name
ADR/RID: TERPENE HYDROCARBONS, N.O.S.
IMDG: TERPENE HYDROCARBONS, N.O.S.
IATA:Terpene hydrocarbons, n.o.s.
Transport hazard class(es)
ADR/RID: 3IMDG: 3IATA: 3
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

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

SECTION 16 - ADDITIONAL INFORMATION
N/A

毒理学数据:

对皮肤及黏膜具有局部刺激作用；长时间接触本品可导致过敏性皮炎乃至慢性肺功能损伤[9]。当摄入量达5000mg/m3时，可引起豚鼠支气管缩小[10]。

生态学数据:

通常对水是不危害的，若无政府许可，勿将材料排入周围环境

符号	GHS02
信号词	Warning
危害声明	H226
个人防护装备	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
危害码 (欧洲)	Xi: Irritant;
风险声明 (欧洲)	10
安全声明 (欧洲)	16-26-36/37/39-45
危险品运输编码	UN 3295 3/PG 3
海关编码	2902199090

上游产品 8
498-15-7 58400-80-9 58400-82-1 58400-81-0
4017-81-6 58437-50-6 82470-87-9 6909-19-9
下游产品 6
498-15-7 99-86-5 99-87-6 6909-01-9
5113-87-1 179605-68-6

海关编码	2902199090
中文概述	2902199090 其他环烷烃、环烯烃及环萜烯。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:2.0%。普通关税:30.0%
申报要素	品名, 成分含量
Summary	2902199090 other cyclanes, cyclenes and cyclotherpenes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

4497-92-1	13466-78-9
3608-11-5	498-15-7
6909-19-9	5208-49-1
5208-50-4	2918-23-2
52640-63-8	82003-75-6