Basic information
- CAS
14010-23-2- Standard SMILES
CCCCCCCCCCCCCCCCC(=O)OCC- InChIKey
KNXMUFRWYNVISA-UHFFFAOYSA-N- Molecular formula
- C19H38O2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.28718045
Overview
Ethyl heptadecanoate has been reported in Aesculus indica with data available.
Names & identifiers
- Preferred name
- Ethyl heptadecanoate
- IUPAC
- ethyl heptadecanoate
- English name
- Ethyl heptadecanoate
- Molecular formula
- C19H38O2
- Molecular weight
- 298.5
Names & synonyms
Ethyl heptadecanoate14010-23-2Heptadecanoic acid, ethyl esterEthyl n-heptadecanoateEINECS 237-822-6NSC 137831DTXSID10161232RefChem:138942DTXCID8083723237-822-6KNXMUFRWYNVISA-UHFFFAOYSA-NETHYL MARGARATE
Show more names
Margaric acid ethylEthylHeptadecanoate>Ethyl n-heptadecanoateMARGARIC ACID ETHYL ESTEREthyl Heptadecanoate(C17:0)N-HEPTADECANOIC ACID ETHYL ESTERheptadecanoicacidethylestergradei
MFCD00026658Heptadecanoic Acid Ethyl EsterSCHEMBL346642Ethyl heptadecanoate, AldrichCPRAKOS015839865HY-W127374150324-16-610-Heptadecenoic acid, ethyl ester, (Z)-
Database identifiers
- CAS
14010-23-2- PubChem CID
- 26397
- DTXSID
DTXSID10161232- EC Number
- 237-822-6
- Nikkaji
- J108.354F
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 28 °C · 28°C
- Boiling point
- 200 °C · 200 °C / 10mmHg
- Density
- 0.8517 · 0.8517
- refractive index
- 1.4266 · 1.4266 (estimate)
- Flash point
- 28 °C · 28 °C
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- InChI
- 1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-4-2/h3-18H2,1-2H3
- InChIKey
- KNXMUFRWYNVISA-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCC(=O)OCC
- LogP
- 8.428 · 8.428 (est)
- CAS DataBase Reference
- 14010 · 14010-23-2(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05,GHS07
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
- wgk
- WGK 3
- hs_code
- 2915.90.5050
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312-H314-H402-H227
- Precautionary statements
- P501-P273-P270-P210-P264-P280-P370+P378-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Chemistry & industry
Applications
UsesEthyl Heptadecanoate is used in biological studies for chemical and sensory profiles of makgeolli rice wine., a Korean rice wine. Ethyl Heptadecanoate is also a volatile component found in fermented soybean pastes.
Suppliers64 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]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [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]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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