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Basic information
- CAS
25118-23-4- Standard SMILES
C=CCCCCC(=O)OCC- InChIKey
FTJATNSAFIFEDU-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- Ethyl 6-heptenoate
- IUPAC
- ethyl hept-6-enoate
- English name
- Ethyl 6-heptenoate 98
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
Ethyl 6-heptenoate25118-23-46-Heptenoic acid, ethyl esterDTXSID60339964RefChem:138845DTXCID30291045627-883-0FTJATNSAFIFEDU-UHFFFAOYSA-Nethyl hept-6-enoateMFCD00671845Ethyl 6-heptenoate, 98%SCHEMBL515049
Show more names
Ethylhept-6-enoate97%Ethyl 6-heptenoate 98%Ethyl 6-heptenoate 986-heptyleneacidethyl ester6-Heptenoic acid ethyl esterEthyl hept-6-enoate,97%(stabilized with MEHQ)
AKOS015915298SY284682CS-0159602D86379Hept-6-enoic acid ethyl esterFT-0742898orb2664789SCHEMBL6167307
Database identifiers
- CAS
25118-23-4- PubChem CID
- 560341
- DTXSID
DTXSID60339964- EC Number
- 627-883-0
- Nikkaji
- J100.811K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Experimental & physicochemical properties
Kovats Retention Index1609
Physicochemical properties
- Boiling point
- 189 °C · 189 °C (lit.)
- Density
- 0.89 g/mL · 0.89 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.426(lit.)
- Flash point
- 175 °F · 175 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h3H,1,4-8H2,2H3
- InChIKey
- FTJATNSAFIFEDU-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)CCCCC=C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2918999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers53 total
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
吉良化学21-62165282 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海毕得医药科技股份有限公司
Related reactions
4 records
Compound notes
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