Basic information
- CAS
1758-33-4- Standard SMILES
C[C@@H]1O[C@@H]1C- InChIKey
PQXKWPLDPFFDJP-ZXZARUISSA-N- Molecular formula
- C4H8O
- Average molar mass
- 72.11 g/mol
- Monoisotopic mass
- 72.05751488
Names & identifiers
- Preferred name
- cis-2,3-Epoxybutane
- IUPAC
- (2S,3R)-2,3-dimethyloxirane
- English name
- cis-2,3-Epoxybutane
- Molecular formula
- C4H8O
- Molecular weight
- 72.11
Names & synonyms
cis-2,3-Epoxybutane1758-33-4Butane, 2,3-epoxy-, cis-CCRIS 3758BRN 0079770meso-2,3-Epoxybutane(z)-2,3-epoxybutane2,3-Dimethyl-oxirane (Z)5-17-01-00061 (Beilstein Handbook Reference)RefChem:126391PQXKWPLDPFFDJP-UHFFFAOYSA-NPQXKWPLDPFFDJP-ZXZARUISSA-N
Show more names
3-epoxy-cis-butancis-2-buteneoxidecis-2-buteneepoxidecis-2-butyleneoxide
cis-2-Butene oxidecis-2,3-Dimethyloxiranecis-2-Butene epoxidecis-2-Butylene oxideOxirane, 2,3-dimethyl-, (2R,3S)-rel-Oxirane, 2,3-dimethyl-, cis-(2S,3R)-2,3-dimethyloxiraneMFCD00005128
Database identifiers
- CAS
1758-33-4- PubChem CID
- 92162
- DTXSID
DTXSID401026530- UNII
- CV4R749V4L
- EC Number
- 626-108-3
- Nikkaji
- J102.021H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 36.9
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- 84 · −84-−83 °C(lit.)
- Boiling point
- 60 · 60-61 °C(lit.)
- Density
- 0.827 g/mL · 0.827 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.383(lit.)
- Flash point
- 7 °F · −7 °F
- storage temp.
- Flammables area
- form
- Powder
- Specific Gravity
- 0.826 · 0.826
- color
- Off-white to light brown or purple
- Water Solubility
- 2.848 e+004 · Soluble in water, 2.848e+004 mg/L.
- Sensitive
- Moisture Sensitive
- BRN
- 79770 · 79770
- InChI
- 1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+
- InChIKey
- PQXKWPLDPFFDJP-ZXZARUISSA-N
- SMILES
- C[C@@H]1O[C@@H]1C
- CAS DataBase Reference
- 1758 · 1758-33-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- -2 · cis-2,3-Dimethyloxirane(1758-33-4)
- EPA Substance Registry System
- 2 · Oxirane, 2,3-dimethyl-, cis- (1758-33-4)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 210 · P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves
- Hazard Codes
- F,Xi,Xn
- Risk Statements
- 11 · 11-36/37/38-20/21/22
- Safety Statements
- 16 · 16-26-36/37/39
- RIDADR
- 3271 · UN 3271 3/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 3855020 · EK3855020
- F
- 21 · 21
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29109000 · 29109000
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, 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.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- F
- 21
- PPE
- Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- EK3855020
- ridadr
- UN 3271 3/PG 2
- hs_code
- 29109000
- risk_code
- 11-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi,Xn
- safety_code
- 16-26-36/37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H225-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
UsesUsed in the enantioselective methanolysis.
Suppliers26 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [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]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [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]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
BOC Sciences[email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Related reactions
2 records
Compound notes
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