Basic information
- Standard SMILES
C=COC(=O)C(CC)CCCC- InChIKey
IGBZOHMCHDADGY-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- Vinyl 2-ethylhexanoate
- IUPAC
- ethenyl 2-ethylhexanoate
- English name
- 2-Ethylhexanoic acid vinyl ester
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
VINYL 2-ETHYLHEXANOATE94-04-2Vinyl 2-ethylhexoateVynate 2EHHexanoic acid, 2-ethyl-, ethenyl ester2-Ethylhexoic acid, vinyl esterVinyl-2-ethylhexanoate2-Ethylhexanoic acid, vinyl esterVinyl-2-ethylhexoateHexanoic acid, 2-ethyl-, vinyl esterNSC 5312Vinylester kyseliny 2-ethylkapronove
Show more names
vynate2ehVinyl-2-ethylhexanoatethenyl 2-ethylhexanoate2-Ethylhexanoic acid vinyl2-ethylhexoicacid,vinylester
EINECS 202-297-4BRN 17672201QLD4A946MAI3-24890VEOVA EHVinylester kyseliny 2-ethylkapronove [Czech]NSC-5312EC 202-297-4
Database identifiers
- CAS
94-04-2- PubChem CID
- 62343
- DTXSID
DTXSID4052633- UNII
- 1QLD4A946M
- EC Number
- 202-297-4
- Nikkaji
- J36.966G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 90 °C · −90 °C(lit.)
- Boiling point
- 86 °C · 86°C 30mm
- Density
- 0 · 0,87 g/cm3
- vapor pressure
- 95 Pa · 95Pa at 24.85℃
- refractive index
- 20 · n20/D 1.426(lit.)
- Flash point
- 65 °C · 65°C
- solubility
- Insoluble in water
- form
- clear liquid
- color
- Colorless to Almost colorless
- Viscosity
- 1.34 mm2/s · 1.34mm2/s
- Water Solubility
- 12 mg/L · 12mg/L at 20℃
- Stability
- Stable. Incompatible with strong oxidizing agents, strong acids, strong bases.
- LogP
- 3.59 at · 3.59 at 20℃
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 QLD4A946M · 1QLD4A946M
- EPA Substance Registry System
- 2 · Vinyl 2-ethylhexanoate (94-04-2)
- Signal word
- Warning
- Hazard statements
- 317 · H317-H410-H400-H361
- Precautionary statements
- 273 · P273-P391-P501-P273-P391-P501-P201-P202-P281-P308+P313-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- Hazard Codes
- Xi,N,Xn
- Risk Statements
- 36 · 36/37/38-50/53-63
- Safety Statements
- 26 · 26-36/37/39-36-61-60-36/37
- RIDADR
- 3082 · 3082
- RTECS
- 7875000 · MO7875000
- TSCA
- TSCA listed
- HS Code
- 2915.9 · 2915.90.5050
- HazardClass
- 9 · 9
- PackingGroup
- III
- Toxicity
- 50 oral · LD50 oral in rat: 4290mg/kg
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (19%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H361 (81.6%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H361d (17.4%): Suspected of damaging the unborn child [Warning Reproductive toxicity]；H400 (99%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (99%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 599 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 30-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13394
Vinyl 2-ethylhexanoate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1B (19%)；Repr. 2 (81.6%)；Repr. 2 (17.4%)；Aquatic Acute 1 (99%)；Aquatic Chronic 1 (99%)
Regulatory information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 30-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13394
Vinyl 2-ethylhexanoate: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- rtecs
- MO7875000
- ridadr
- 3082
- hs_code
- 2915.90.5050
- Toxicity
- LD50 oral in rat: 4290mg/kg
- risk_code
- 36/37/38-50/53-63
- Signal word
- Warning
- hazard_code
- Xi,N,Xn
- safety_code
- 26-36/37/39-36-61-60-36/37
- hazard_class
- 9
- packing_group
- III
- Hazard statements
- H317-H410-H400-H361
- REACH Registrations
- Active
- Precautionary statements
- P273-P391-P501-P273-P391-P501-P201-P202-P281-P308+P313-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanoic acid, 2-ethyl-, ethenyl ester: ACTIVE
Applications
UsesPolymers, emulsion paints.
Suppliers27 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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [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]
Connect Chemicals GmbH+49 2102 2077 19 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
Related reactions
2 records
Linked notes
Loading…