Basic information
- CAS
14205-47-1- Standard SMILES
CC(N)=CC(=O)OCCCCOC(=O)C=C(C)N- InChIKey
DFUXQARZEWMFLQ-UHFFFAOYSA-N- Molecular formula
- C12H20N2O4
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.14230712
Names & identifiers
- Preferred name
- Butanediyl bis(3-aminobut-2-enoate)
- IUPAC
- 4-(3-aminobut-2-enoyloxy)butyl 3-aminobut-2-enoate
- English name
- 1,4-Butanediol bis(beta-aminocrotonate)
- Molecular formula
- C12H20N2O4
- Molecular weight
- 256.3
Names & synonyms
14205-47-1Butanediyl bis(3-aminobut-2-enoate)DTXSID0065727RefChem:330626DTXCID7034620238-059-12-Butenoic acid, 3-amino-, 1,4-butanediyl ester2-Butenoic acid, 3-amino-, 1,1'-(1,4-butanediyl) esterMFCD000598621,4-Butanediol bis(3-aminocrotonate)butane-1,4-diyl bis(3-aminobut-2-enoate)EINECS 238-059-1
Show more names
BGAC1,4-BUTYLENE BIS(3-AMINOCROTONATE)1,4-Butylene Bis(β-aminocrotonate)1,4-Butanediol bis(β-aminocrotonate)tetramethylene bis(3-aminocrotonate)1,4-BUTANEDIOL BIS(β-AMINOCROTONATE)1,4-BUTYLENE BIS(BETA-AMINOCROTONATE)
Crotonic acid, 3-amino-, tetramethylene ester3-Amino-2-butenoic acid (1,4-butanediyl) ester4-(3-aminobut-2-enoyloxy)butyl 3-aminobut-2-enoateDFUXQARZEWMFLQ-UHFFFAOYSA-NFA176692E78818
Database identifiers
- CAS
14205-47-1- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 147 · 147-150 °C(lit.)
- Boiling point
- 426.8 · 426.8±30.0 °C(Predicted)
- Density
- 1.125 · 1.125
- pka
- 5.59 · 5.59±0.70(Predicted)
- form
- powder to crystal
- color
- White to Light yellow
- EPA Substance Registry System
- 2 · 2-Butenoic acid, 3-amino-, 1,4-butanediyl ester (14205-47-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- 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
This chemical does not meet GHS hazard criteria for 23.1% (12 of 52) of reports.
Warning
H315 (76.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2-Butenoic acid, 3-amino-, 1,4-butanediyl ester
Hazard Classes and CategoriesSkin Irrit. 2 (76.9%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29224999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenoic acid, 3-amino-, 1,1'-(1,4-butanediyl) ester: ACTIVE
Applications
Uses1,4-Butyleneglycolbis(3-aminocrotonate) (BGAC) is used as stabilizer for PVC and vinylchloride copolymers for the food-packing industry. Product Data Sheet
Suppliers32 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]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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