Basic information
- CAS
39761-68-7- Standard SMILES
CC(C)=CC(C)(C)CC(C)(C)C- InChIKey
DRHABPMHZRIRAH-UHFFFAOYSA-N- Molecular formula
- C12H24
- Average molar mass
- 168.32 g/mol
- Monoisotopic mass
- 168.18780077
Overview
Triisobutylene appears as a colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Used to make rubber products, oil additives and motor fuels.
Names & identifiers
- Preferred name
- 2,4,4,6,6-Pentamethyl-2-heptene
- IUPAC
- 2,4,4,6,6-pentamethylhept-2-ene
- English name
- 2,4,4,6,6-pentamethylhept-2-ene
- Molecular formula
- C12H24
- Molecular weight
- 168.32
Names & synonyms
2,4,4,6,6-pentamethyl-2-heptene39761-68-7EINECS 254-621-92-Heptene, 2,4,4,6,6-pentamethyl-UNII-1BM6W5KS4L1BM6W5KS4LRefChem:81977254-621-9TRIISOBUTYLENE2,4,4,6,6-Pentamethylhept-2-ene2-Methyl propyl radicalTriisobutylen
Show more names
TRIISOBUTYLENE, TECH.SCHEMBL2898782SCHEMBL3872048DTXSID401358193AKOS006343533LS-14154NS00020029Q27252203
Database identifiers
- CAS
39761-68-7、7756-94-7- PubChem CID
- 170244
- DTXSID
DTXSID401358193- UNII
- 1BM6W5KS4L
- EC Number
- 254-621-9
- Nikkaji
- J261.441C
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 3rd degree
Density0.77 (USCG, 1999) - Less dense than water; will float
Boiling Point350.6 °F at 760 mmHg (USCG, 1999)
Melting Point-104.8 °F (USCG, 1999)
Vapor Pressure3.9 mmHg (USCG, 1999)
Physical DescriptionTriisobutylene appears as a colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Used to make rubber products, oil additives and motor fuels.
Physicochemical properties
- FDA UNII
- 1 BM6W5KS4L · 1BM6W5KS4L
- EPA Substance Registry System
- 2 · 2-Heptene, 2,4,4,6,6-pentamethyl- (39761-68-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Special Hazards of Combustion Products: Emits toxic fumes upon decomposition. (USCG, 1999)
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
May be harmful by inhalation, ingestion or absorption. May cause eye and skin irritation. (USCG, 1999)
CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.
DOT ID and Guide2324 128
Reactive GroupHydrocarbons, Aliphatic Unsaturated
Reactivity AlertsHighly Flammable
Reactivity Profile
TRIISOBUTYLENE may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas. In the presence of various catalysts (such as acids) or initiators, may undergo exothermic addition polymerization reactions.
DOT Hazard Classification
Triisobutylene
UN2324
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Air and Water ReactionsHighly flammable. Insoluble in water.
Hazard Classes and Categories
Flammable liquids - Category 3
Flammable agents - 3rd degree
Safety & protection
Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
INHALATION: Consult a physician. Remove the victim to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and Evacuation
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Wear approved respirator, chemical resistant gloves or mask, apron, safety goggles and boots. (USCG, 1999)
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Heptene, 2,4,4,6,6-pentamethyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers30 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚扬化工产品有限公司13356258271 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
合肥天健化工有限公司+86-0551-65418679 +86-18949832763 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
亚索试剂400-873-6778 18660992876 · [email protected]
Related reactions
3 records
Compound notes
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