Basic information
- CAS
6221-96-1- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)CC- InChIKey
RSRQBSGZMPVCOI-UHFFFAOYSA-N- Molecular formula
- C19H38O2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.28718045
Overview
Hexadecyl propionate has been reported in Durio zibethinus with data available.
Names & identifiers
- Preferred name
- Hexadecyl propionate
- IUPAC
- hexadecyl propanoate
- English name
- hexadecyl propionate
- Molecular formula
- C19H38O2
- Molecular weight
- 298.5
Names & synonyms
Hexadecyl propionatehexadecyl propanoate6221-96-11-Hexadecanol, propanoateHEXADECYLPROPIONATECHEMBL138543Propanoic acid, hexadecyl esterNSC-53827NSC-67972Propionic acid hexadecyl esterEINECS 228-301-4Propionsaurecetylester
Show more names
AI3-061111-Hexadecanol, propionateHAT8G77L9G1-Hexadecanol, 1-propanoateSCHEMBL160710orb2664698orb2900293SCHEMBL5238456
Database identifiers
- CAS
6221-96-1- PubChem CID
- 80355
- DTXSID
DTXSID80211273- ChEMBL
CHEMBL138543- UNII
- HAT8G77L9G
- EC Number
- 228-301-4
- Nikkaji
- J211.462C
Properties
Computed structural properties
- XLogP
- 8.2
- 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
- 14.58 °C · 14.58°C (estimate)
- Boiling point
- 339.91 °C · 339.91°C (estimate)
- Density
- 0.871 · 0.8710 (estimate)
- refractive index
- 1.445 · 1.4450 (estimate)
- LogP
- 8.428 · 8.428 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers13 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
吉良化学21-62165282 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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