メチルシクロペンタジエン (ダイマー)

Methylcyclopentadiene dimer

HCID 3033878

基本情報

CAS
1217741-36-0
標準SMILES
CC1=CC2C3C=CC(C3)C2C1C
InChIKey
GUOAPVPPPVLIQQ-UHFFFAOYSA-N
分子式
C12H16
平均分子量
160.25 g/mol
単同位体質量
160.12520051

名称と識別子

優先名称
Methylcyclopentadiene dimer
IUPAC
4,5-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
現地名
メチルシクロペンタジエン (ダイマー)
英語名
Methylcyclopentadiene dimer
分子式
C12H16
分子量
160.26

名称と別名

Dimethyldicyclopentadiene3a,4,7,7a-Tetrahydrodimethyl-4,7-methanoindeneBis(methylcyclopentadiene)4,7-Methanoindene, 3a,4,7,7a-tetrahydrodimethyl-DTXSID3027902RefChem:818556247-724-526472-00-44,7-Methano-1H-indene, 3a,4,7,7a-tetrahydrodimethyl-Methylcyclopentadiene dimer4,5-dimethyltricyclo[5.2.1.02,6]deca-3,8-dieneSCHEMBL30380948
名称をさらに表示
メチルシクロペンタジエン (ダイマー)3a,4,7,7a-テトラヒドロジメチル-4,7-メタノ-1H-インデンメチルシクロペンタジエン二量体3,9-ジメチルトリシクロ[5.2.1.02,6]デカ-3,8-ジエンジメチルジシクロペンタジエンメチルシクロペンタジエン,ダイマーメチルシクロペンタジエン, ダイマーメチルシクロペンタジエン ダイマーMETHYLCYCLOPENTADIENEMethyl cyclopentadiene dimmer (MCPD)3a,4,7,7a-tetrahydrodimethyl-4,7-methano-1h-indeneopentadiene dimermethylcyclopentadionedimerMethyl1-1,3-cyclopentadieneMETHYLCYCLOPENTADIENE DIMERS
DTXSID80274242GUOAPVPPPVLIQQ-UHFFFAOYSA-NLS-140883a.4.7.7a-Tetrahydrodimethyl-4.7-methanoindene1,2-Dimethyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-1,2-dimethyl-1217741-36-0

データベース識別子

CAS
1217741-36-0、26472-00-4
PubChem CID
3033878
DTXSID
DTXSID80274242

物性

構造計算による物性

XLogP
2.7
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
0
重原子数
12

実験および物理化学的性質

Density · 2 件

0.941 (USCG, 1999) - Less dense than water; will float

0.941 @25 °C

Flash Point80 °F (USCG, 1999)
Boiling Point · 2 件

392 °F at 760 mmHg (USCG, 1999)

200 °C @760 [mm Hg]

Melting Point-59.8 °F (USCG, 1999)
Vapor Pressure · 2 件

14.2 [mmHg]

7.5 [mm Hg] @47.8 °C

Physical Description · 3 件

Methylcyclopentadiene dimer, [liquid] appears as a colorless liquid. Slightly less dense than water and insoluble in water. Hence floats on water.

Liquid

Colorless liquid; [CAMEO] Pale yellow liquid with a hydrocarbon odor; [ExxonMobil MSDS]

物理化学的性質

融点
-51 °C · -51 °C (lit.)
沸点
200 °C · 200 °C (lit.)
比重(密度)
0.941 g/mL · 0.941 g/mL at 25 °C (lit.)
蒸気密度
4.6 · 4.6 (vs air)
蒸気圧
7.5 mm · ~7.5 mm Hg ( 47.8 °C)
屈折率
20 · n20/D 1.498(lit.)

化学的性質

化学的特性Clear colorless to slightly yellow liquid

安全と法規制

危険有害性情報

Regulatory Information · 3 件

Chemical: 4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydrodimethyl-

4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydrodimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydrodimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Methylcyclopentadiene dimer: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelFlammable Liquid
Fire HazardsSpecial Hazards of Combustion Products: Vapors may travel considerable distance to a source of ignition and flash back. Forms explosive mixtures in air. Container explosion may occur under fire conditions. (USCG, 1999)
Health Hazards · 1 件

Harmful if swallowed, inhaled or absorbed through skin. Vapor or mist is irritating to the eyes, mucous membrane, upper respiratory tract. Exposure can cause nausea, headache, and vomiting. May contain 0.5% Benzene, a known carcinogen. (USCG, 1999)

Hazards Summary · 1 件

May auto-oxidize on exposure to air forming explosive peroxides; [CAMEO] Liquid causes smarting of skin and first degree burns on short exposure; May cause second degree skin burns from longer exposure; Vapor or mist causes eye, mucous membrane, and upper respiratory tract irritation; Inhalation may cause dizziness, difficulty breathing, and loss of consciousness; [CHRIS] Effects to the kidney (increased hyaline droplets in all treated males) and liver (hepatocellular hypertrophy with increased liver weights in females at 100 mg/kg/day and males at 300 mg/kg/day) observed in 28-day oral study of rats; Gross and histopathological changes of the liver and kidney observed in 9-day inhalation study of rats; No reproductive toxicity observed in rats; Developmental toxicity (lower pup birth weight and weight gain) seen in the presence of maternal toxicity in rats; Evidence of neurotoxicity in rats; [EPA ChAMP: Hazard Characterization] Contains 0-0.5% benzene (CAS# 71-43-2) and 0-3.5% dicyclopentadiene (CAS# 77-73-6); A skin and eye irritant; An aspiration hazard by ingestion (may cause lung injury); Harmful by inhalation; [ExxonMobil MSDS] See Dicyclopentadiene.

Reactive GroupConjugated Dienes

安全と保護具

Fire Fighting · 1 件

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:;CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: For mixtures containing alcohol or polar solvent, alcohol-resistant foam may be more effective.;SMALL FIRE: Dry chemical, CO2, water spray or regular foam. If regular foam is ineffective or unavailable, use alcohol-resistant foam.;LARGE FIRE: Water spray, fog or regular foam. If regular foam is ineffective or unavailable, use alcohol-resistant foam. Avoid aiming straight or solid streams directly onto the product. If it can be done safely, move undamaged containers away from the area around the fire.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. For petroleum crude oil, do not spray water directly into a breached tank car. This can lead to a dangerous boil over. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

First Aid · 1 件

INHALATION: Call a physician. Remove the victim to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.;EYES OR SKIN: Immediately flush with copious amounts of water for 15 minutes while removing contaminated clothing and shoes. Assure adequate flushing of the eyes by holding eyelids open with fingers. (USCG, 1999)

Nonfire Spill Response · 1 件

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.;LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)

Isolation and Evacuation · 1 件

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.;LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Protective Action Criteria (PAC) · 3 件

13 [mg/m3]

140 [mg/m3]

830 [mg/m3]

Personal Protective Equipment (PPE)Self-contained breathing apparatus, protective clothing, rubber boots and heavy rubber gloves. (USCG, 1999)

毒性情報

Adverse Effects · 1 件

Neurotoxin - Acute solvent syndrome;Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.;Nephrotoxin - The chemical is potentially toxic to the kidneys in the occupational setting.;Dermatotoxin - Skin burns.

Toxicity DataLC50 (rat) > 3,240 mg/m3/4hr

法規制情報

Regulatory Information · 3 件

Chemical: 4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydrodimethyl-

4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydrodimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydrodimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Methylcyclopentadiene dimer: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
3
tsca
TSCA listed
rtecs
PC1075000
ridadr
UN 3295 3/PG 3
hs_code
29021990
risk_code
45-10-50/53-46

化学と産業

用途と製造

UsesUsed to make fine chemicals; [ExPub: ECHA REACH Registrations] Used as a chemical feedstock; [ExxonMobil MSDS]
U.S. Production2023: <50,000 lb;2022: <50,000 lb;2021: <50,000 lb;2020: 250,000 - <550,000 lb
General Manufacturing Information4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydrodimethyl-: ACTIVE

応用分野

使用Methylcyclopentadiene dimer is used to study the competition with ethylene for binding and biological activities. Used in the synthesis of rubbers and resins intended for use in contact with food or drink.

一般的な説明A colorless liquid. Slightly less dense than water and insoluble in water. Hence floats on water. Flash point 140°F.

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