Basic information
- CAS
15111-56-5- Standard SMILES
CCOC(=O)C1CC=CCC1- InChIKey
BYNLHLLOIZDKIC-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- 3-Cyclohexene-1-carboxylic acid, ethyl ester
- IUPAC
- ethyl cyclohex-3-ene-1-carboxylate
- English name
- 3-Cyclohexene-1-carboxylic acid ethyl ester
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
15111-56-5Ethyl cyclohex-3-ene-1-carboxylateEthyl 3-cyclohexene-1-carboxylate3-Cyclohexene-1-carboxylic acid, ethyl esterG0CLB7H7ATEINECS 239-161-9AI3-330913-Cyclhexene-1-carboxylic acid, ethyl esterDTXSID90864557RefChem:500764DTXCID90813060239-161-9
Show more names
RARECHEM AL BI 00043-Cyclohexencarboxylate3-cyclohexene-1-carboxylatecyclohexyl-3-enethyl formate
3-Cyclohexene-1-carboxylic Acid Ethyl EsterEthyl 3-cyclohexenecarboxylate3-CYCLOHEXENE-1-CARBOXYLICACIDETHYLESTERMFCD00037158ethyl cyclohex-3-enecarboxylateUNII-G0CLB7H7ATginseneEthyl 3-cyclohexencarboxylate
Database identifiers
- CAS
15111-56-5- PubChem CID
- 85803
- DTXSID
DTXSID90864557- UNII
- G0CLB7H7AT
- EC Number
- 239-161-9
- Nikkaji
- J208.232B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
FragrancesFragrance
Physicochemical properties
- Boiling point
- 195 °C · 195 °C
- Density
- 0 · 0,99 g/cm3
- refractive index
- 1.455 · 1.4550-1.4580
- storage temp.
- Store at room temperature
- form
- clear liquid
- color
- Colorless to Light yellow
- Odor
- very intense sweet fruity floral ylang
- Odor Type
- fruity
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.371 · 3.371 (est)
- FDA UNII
- 0 CLB7H7AT · G0CLB7H7AT
- EPA Substance Registry System
- 3 · 3-Cyclohexene-1-carboxylic acid, ethyl ester (15111-56-5)
- Symbol(GHS)
- 2 · GHS02
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
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 3-Cyclohexene-1-carboxylic acid, ethyl ester
Other Safety InformationIMAP assessments - 3-Cyclohexene-1-carboxylic acid, ethyl ester: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- ridadr
- 3272
- hs_code
- 2916200090
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Cyclohexene-1-carboxylic acid, ethyl ester: INACTIVE
Suppliers32 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
PT CHEM GROUP LIMITED
Related reactions
4 records
Compound notes
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