1H-Indene,3a,4,7,7a-tetrahydro-

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

NK8750000

CHEMICAL NAME :

Indene, 3a,4,7,7a-tetrahydro-

CAS REGISTRY NUMBER :

3048-65-5

LAST UPDATED :

199701

DATA ITEMS CITED :

4

MOLECULAR FORMULA :

C9-H12

MOLECULAR WEIGHT :

120.21

WISWESSER LINE NOTATION :

L56 BU GUTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3730 uL/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

3500 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 18(10),52,1974

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

14100 uL/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969

毒理学数据：

1 。
试验方法：口服
摄入剂量： 3730瘤/公斤
测试对象：啮齿动物-鼠
毒性类型：急性
毒性作用： 详细的毒副作用没有报告以外的其他致死剂量值
2 。
试验方法：口服
摄入剂量： 3500毫克/千克
测试对象：啮齿动物-鼠
毒性类型：急性
毒性作用： 详细的毒副作用没有报告以外的其他致死剂量值

3 。
试验方法：行政上的皮肤
摄入剂量： 14100瘤/公斤
测试对象：啮齿动物-兔
毒性类型：急性
毒性作用：详细的毒副作用没有报告以外的其他致死剂量值

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

MSDS

Section I.Chemical Product and Company Identification
Chemical Name 3a,4,7,7a-Tetrahydroindene
Portland OR
SynonymBicyclo (4,3,0)nona-3,7-diene
Chemical FormulaC9H12
CAS Number3048-65-5
Section II.Composition and Information on Ingredients
Chemical NameCAS Number Percent (%)TLV/PELToxicology Data
3a,4,7,7a-Tetrahydroindene3048-65-5Min. 98.0 Not available.Rat LD50 (oral) 3730 mg/kg
Rabbit LD50 (dermal) 14,100 mg/kg
(GC)
Mouse LD50 (oral) 3500 mg/kg
Section III. Hazards Identification
Acute Health EffectsNo specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
CARCINOGENIC EFFECTS : Not available.
Chronic Health Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
not known to aggravate existing medical conditions.
Section IV.First Aid Measures
Eye ContactCheck for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum
of 15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
supportively.
Skin ContactIf the chemical gets spilled on a clothed portion of the body, remove the contaminated clothes as quickly as possible,
protecting your own hands and body. Place the victim under a deluge shower. If the chemical touches the victim's
exposed skin, such as the hands: Gently and thoroughly wash the contaminated skin with running water and non-abrasive
soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the irritated skin with an emollient. Seek
medical attention. Treat symptomatically and supportively. Wash any contaminated clothing before reusing.
InhalationIf the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If
breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Loosen tight clothing such as a collar, tie, belt, or waistband. If the victim is not breathing, administer artificial respiration.
Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material
was ingested; the absence of such signs, however, is not conclusive. Seek immediate medical attention and, if possible,
show the chemical label. Treat symptomatically and supportively.
Section V. Fire and Explosion Data
Not available.
Auto-Ignition
FlammabilityCombustible.
Flammable Limits
Flash PointsNot available.
Not available.
Combustion ProductsThese products are toxic carbon oxides (CO, CO 2).
Fire Hazards
No specific information is available regarding the flammability of this compound in the presence of various materials.
Explosion HazardsRisks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
No additional information is available regarding the risks of explosion.
Continued on Next Page
3048-3a,4,7,7a-Tetrahydroindene
Fire Fighting Media
SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
and InstructionsLARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
Section VI.Accidental Release Measures
Spill CleanupFlammable liquid.
Keep away from heat and sources of ignition. Mechanical exhaust required. Stop leak if without risk. Absorb with DRY
Instructions
earth, sand or other non-combustible material. DO NOT touch spilled material. Prevent entry into sewers, basements or
confined areas; dike if needed. Eliminate all sources of ignition. Consult federal, state, and/or local authorities for
assistance on disposal.
Section VII. Handling and Storage
FLAMMABLE. Reactive with strong oxidizers; may be ignited by heat, sparks, or flames. Vapors may travel to source of
Handling and Storage
ignition and flash back. Tightly seal container and store in a cool place. Closed containers may explode from heat of a
Information
fire. Empty containers may pose a fire risk. Evaporate residue under a fume hood if possible. Ground all equipment
containing material. Keep away from heat and sources of ignition. Mechanical exhaust required. Avoid excessive heat
and light. Do not breathe gas, fumes, vapor or spray. In case of insufficient ventilation, wear suitable respiratory
equipment. If you feel unwell, seek medical attention and show the label when possible. Treat symptomatically and
supportively. Avoid contact with skin and eyes.
Always store away from incompatible compounds such as oxidizing agents.
Section VIII. Exposure Controls/Personal Protection
Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their
Engineering Controls
respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
Personal ProtectionSplash goggles. Lab coat. Vapor respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid
inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
this product.
Exposure Limits
Not available.
Section IX. Physical and Chemical Properties
Physical state @ 20°CLiquid.Solubility
Not available.
0.93
Specific Gravity
Molecular Weight120.19Partition Coefficient
Not available.
Boiling PointVapor Pressure
160°C (320°F)Not available.
Not available.Not available.
Melting PointVapor Density
Refractive IndexNot available.VolatilityNot available.
Critical TemperatureNot available.OdorNot available.
ViscosityNot available.TasteNot available.
Section X.Stability and Reactivity Data
StabilityThis material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability
Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.
Section XI. Toxicological Information
RTECS NumberNK8750000
Routes of ExposureEye contact. Inhalation. Ingestion.
Toxicity DataRat LD50 (oral) 3730 mg/kg
Rabbit LD50 (dermal) 14,100 mg/kg
Mouse LD50 (oral) 3500 mg/kg
CARCINOGENIC EFFECTS : Not available.
Chronic Toxic Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
known to aggravate existing medical conditions.
Acute Toxic EffectsNo specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Continued on Next Page
3a,4,7,7a-Tetrahydroindene
Section XII.Ecological Information
EcotoxicityNot available.
Environmental FateNot available.
Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
Waste Disposal
a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state, and local regulations when disposing of this substance.
Section XIV. Transport Information
DOT ClassificationCLASS 3: Flammable liquid.
PIN Number
Proper Shipping Name
Hydrocarbons, liquid, n.o.s.
Packing Group (PG)II
DOT Pictograms
Section XV. Other Regulatory Information and Pictograms
TSCA Chemical InventoryThis product is ON the EPA Toxic Substance Control Act (TSCA) inventory.
(EPA)
WHMIS Classification
Not controlled under WHMIS (Canada).
(Canada)
EINECS Number (EEC) Not available.
EEC Risk StatementsNot available.
SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：38.76

2、 摩尔体积（m³/mol）：127.2

3、 等张比容（90.2K）：311.8

4、 表面张力（dyne/cm）：36.0

5、 极化率（10^-24cm³）：15.36

计算化学数据

1.疏水参数计算参考值（XlogP）:2.6

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.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:9

8.表面电荷:0

9.复杂度:153

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:2

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