Basic information
- CAS
111-67-1- Standard SMILES
CC=CCCCCC- InChIKey
ILPBINAXDRFYPL-UHFFFAOYSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Overview
See also: 2-Octene (annotation moved to).
Names & identifiers
- Preferred name
- Oct-2-ene
- IUPAC
- oct-2-ene
- English name
- trans-2-Octene
- Molecular formula
- C8H16
- Molecular weight
- 112.21
Names & synonyms
oct-2-eneRefChem:855401203-894-22-Octene, (2Z)-7642-04-82-Octyleneocta-2-eneoct-6-eneSCHEMBL21022SCHEMBL35677SCHEMBL83358SCHEMBL103043
Show more names
2-OCTENEOCTENE-2Nsc665722-Caprylene2-Octene(c,t)(2E)-2-Octene2-Octene trans-2-Octene
SCHEMBL387191SCHEMBL387192SCHEMBL456278SCHEMBL944166SCHEMBL1112325SCHEMBL1113091SCHEMBL1113173SCHEMBL2899549
Database identifiers
- CAS
111-67-1- PubChem CID
- 8126
- DTXSID
DTXSID0059407- EC Number
- 203-894-2
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 53.1
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesDensity
Physical DescriptionClear colorless liquid; [Pfaltz and Bauer MSDS]
Physicochemical properties
- Melting point
- -94 °C · -94 °C
- Boiling point
- 123 °C · 123 °C(lit.)
- Density
- 0.718 g/mL · 0.718 g/mL at 25 °C(lit.)
- vapor pressure
- 31 mm · 31 mm Hg ( 37.7 °C)
- refractive index
- 20 · n20/D 1.413(lit.)
- Flash point
- 70 °F · 70 °F
- pka
- 4.055 · 4.055[at 20 ℃]
- form
- clear liquid
- color
- Colorless to Almost colorless
- Viscosity
- 0.66 mm2/s · 0.66mm2/s
- Water Solubility
- 2.7 mg/L · 2.7mg/L at 25℃
- Specific Heat Capacity
- 2.13 J/ · Cp(liquid): 2.13 J/(g·K), at 25℃
- BRN
- 1719495 · 1719495
- LogP
- 4.47 at · 4.47 at 20℃
- EPA Substance Registry System
- 2 · 2-Octene (111-67-1)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 319 · H319-H336-H304-H411-H225
- Precautionary statements
- 501 · P501-P261-P273-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P331-P337+P313-P305+P351+P338-P303+P361+P353-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-65
- Safety Statements
- 16 · 16-62
- RIDADR
- 3295 · UN 3295 3/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2901.29 · 2901.29.1010
- HazardClass
- 3 · 3
- PackingGroup
- II
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 130 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Hazard information
Regulatory InformationStatus: Active Update: 03-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26737
Hazards SummaryAn irritant; [Pfaltz and Bauer MSDS] See trans-4-Octene, trans-3-Octene, cis-4-Octene, Octene, and 2-Octene.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flam. Liq. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3295 3/PG 2
- hs_code
- 2901.29.1010
- risk_code
- 11-65
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08,GHS09
- hazard_code
- F,Xn
- safety_code
- 16-62
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H319-H336-H304-H411-H225
- REACH Registrations
- Inactive
- Precautionary statements
- P501-P261-P273-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P331-P337+P313-P305+P351+P338-P303+P361+P353-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers31 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]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
Hebei Huanzhou Chemical Products Co., Ltd.+8619133532821 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
BOC Sciences[email protected]
山东小野化学股份有限公司0539-6362799 20）
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
Related reactions
13 records
Compound notes
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