Basic information
- CAS
1129-47-1- Standard SMILES
CC(C)C(=O)OC1CCCCC1- InChIKey
IYYXBWAISHVFEX-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- Propanoic acid, 2-methyl-, cyclohexyl ester
- IUPAC
- cyclohexyl 2-methylpropanoate
- English name
- Cyclohexyl isobutyrate
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
Cyclohexyl isobutyrate1129-47-1Propanoic acid, 2-methyl-, cyclohexyl esterEINECS 214-448-1NSC 53788DTXSID4061543RefChem:869307DTXCID3033307214-448-1Cyclohexyl 2-methylpropanoateCyclohexyl iso-butyrateSCHEMBL753308
Show more names
Isobutyric acid cyclohexyl ester2-methyl-propanoicacicyclohexylester2-Methylpropionic acid cyclohexyl ester2-Methylpropanoic acid cyclohexyl esterPropanoicacid,2-methyl-,cyclohexylesterPOLY(CYCLOHEXYL METHACRYLATE), CROSS-LINKED
SCHEMBL4672536Cyclohexyl 2-methylpropanoate #SCHEMBL25404706SCHEMBL27798319NSC53788CYCLOHEXYL 2-METHYLPROPIONATENSC-53788AKOS006242785
Database identifiers
- CAS
1129-47-1- PubChem CID
- 70792
- DTXSID
DTXSID4061543- EC Number
- 214-448-1
- Nikkaji
- J203.372K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Propanoic acid, 2-methyl-, cyclohexyl ester) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 259.9 °C · 259.9°C (rough estimate)
- Density
- 0.9489 · 0.9489
- refractive index
- 1.489 · 1.4890 (estimate)
- Odor
- 100 % · at 100.00%. fruity
- LogP
- 3.111 · 3.111 (est)
- EPA Substance Registry System
- 2 · Propanoic acid, 2-methyl-, cyclohexyl ester (1129-47-1)
- TSCA
- TSCA listed
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 ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: Isobutyric acid, cyclohexyl ester
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Propanoic acid, 2-methyl-, cyclohexyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationPropanoic acid, 2-methyl-, cyclohexyl ester: ACTIVE
Suppliers8 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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