Basic information
- Standard SMILES
CCCCC1CO1- InChIKey
WHNBDXQTMPYBAT-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Overview
butyloxirane has been reported in Solanum lycopersicum with data available.
Names & identifiers
- Preferred name
- 2-Butyloxirane
- IUPAC
- 2-butyloxirane
- English name
- 1,2-Epoxyhexane
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
1,2-Epoxyhexane2-Butyloxirane1436-34-6DTXSID10870872RefChem:411835DTXCID90818555215-864-6ButyloxiraneOxirane, butyl-1-Hexene oxide1,2-Hexene oxide1-Hexene epoxide
Show more names
BUTYLOXIRANHEXYLENEOXIDE1,2-EPOXYHEXANHexene epoxiden-butyloxirane
Epoxy-n-hexaneHEXANE, 1,2-EPOXY-2-Butyl-oxiraneMFCD00005154NSC 24268Hexylene oxideHexene, monooxideCCRIS 3750
Database identifiers
- CAS
1436-34-6- PubChem CID
- 15036
- DTXSID
DTXSID10870872- EC Number
- 215-864-6
- Nikkaji
- J73.698H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 52.1
Experimental & physicochemical properties
LogP1.95
Physicochemical properties
- Melting point
- 94 °C · 94°C
- Boiling point
- 118 · 118-120 °C(lit.)
- Density
- 0.833 g/mL · 0.833 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.406
- Flash point
- 60 °F · 60 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Difficult to mix.
- form
- Liquid
- Specific Gravity
- 0.831 · 0.831
- color
- Clear colorless
- BRN
- 102568 · 102568
- InChI
- InChI=1S/C6H12O/c1-2-3-4-6-5-7-6/h6H,2-5H2,1H3
- InChIKey
- WHNBDXQTMPYBAT-UHFFFAOYSA-N
- SMILES
- O1CC1CCCC
- LogP
- 1.95 · 1.950
- CAS DataBase Reference
- 1436 · 1436-34-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Oxirane, butyl- (1436-34-6)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H315-H319-H335
- Precautionary statements
- 210 · P210-P301+P312+P330-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-22-36/37/38
- Safety Statements
- 26 · 26
- RIDADR
- 1993 · UN 1993 3/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 3630000 · MO3630000
- F
- 10 · 10-21
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29109000 · 29109000
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory InformationChemical: Oxirane, butyl-
Other Safety InformationIMAP assessments - Short-chain alkyl oxiranes: Human health tier II assessment
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Acute toxicity - category 4
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- MO3630000
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29109000
- risk_code
- 11-22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 26
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H225-H302-H315-H319-H335
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P301+P312+P330-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1,2-Epoxyhexane is used as chemical reagent, organic intermediates, fine chemicals, pharmaceutical research and development.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北昔少年生物科技有限公司0711-3700636 18827410479
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Wuhan Huahan Dingcheng New Material Technology Co., Ltd+undefined-027-81388558 +undefined086-1878077615 · [email protected]
武汉华瀚鼎诚新材料科技有限公司027-81388558 18963961905 · [email protected]
Syntechem Co.,Ltd[email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
苏州润森药物科技有限公司0512-65885589 18751140360 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
武汉朋和科技有限公司027-60707801 13628634921
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Wuhan Mayue Longteng Technology Development Co., Ltd.+86-13071211027 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海新平精细化学品有限公司18221735425 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
Related reactions
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