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Basic information
- CAS
16930-95-3- Standard SMILES
CCCCC#CC(=O)OCC- InChIKey
GDCQMGYMFGPMCX-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- Ethyl hept-2-ynoate
- IUPAC
- ethyl hept-2-ynoate
- English name
- Ethyl 2-heptynoate
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
Ethyl hept-2-ynoateEthyl 2-heptynoate16930-95-32-Heptynoic acid, ethyl esterNSC-190963EINECS 240-996-6AI3-33391H59KJ98LCChept-2-ynoic acid ethyl esterSCHEMBL1088906DTXSID80168692MFCD00015275
Show more names
TIMTEC-BB SBB008804Ethyl 2-heptynoate, 98+%ETHYL 2-HEPTYNOATE, 98%ETHYL 2-HEPTYNOATE, 98%ETHYL 2-HEPTYNOATE, 98%ETHYL 2-HEPTYNOATE, 98%
NSC190963SBB008804AKOS006230610AS-57230DA-26184CS-0297333NS00025553ST51039885
Database identifiers
- CAS
16930-95-3- PubChem CID
- 85647
- DTXSID
DTXSID80168692- UNII
- H59KJ98LCC
- EC Number
- 240-996-6
- Nikkaji
- J312.883K
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 193 · 193-194°C
- Density
- 0 · 0,916 g/cm3
- refractive index
- 1.444 · 1.4440
- Flash point
- 193 · 193-194°C
- Specific Gravity
- 0.916 · 0.916
- BRN
- 1756846 · 1756846
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Suppliers15 total
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]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
上海鑫矽新材料有限公司13585834793 13660927110 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
合肥钼凯医药科技有限公司
Related reactions
2 records
Compound notes
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