Basic information
- CAS
19781-61-4- Standard SMILES
CCC1CCC(O)CC1- InChIKey
RVTKUJWGFBADIN-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Overview
See also: trans 4-Ethylcyclohexanol (annotation moved to).
Names & identifiers
- Preferred name
- 4-Ethylcyclohexanol
- IUPAC
- 4-ethylcyclohexan-1-ol
- English name
- CIS-4-ETHYLCYCLOHEXANOL
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
4-Ethylcyclohexanol4534-74-14-ethylcyclohexan-1-olCyclohexanol, 4-ethyl-trans-4-Ethyl cyclohexanol4-Ethylcyclohexanol,c&tEINECS 224-878-1D2R95X8PXBDTXSID30196485NSC 21118NSC-21118RefChem:98900
Show more names
Cyclohexanol, 4-ethyl-, cis-
DTXCID40118976224-878-1RVTKUJWGFBADIN-UHFFFAOYSA-Ntrans-4-Ethylcyclohexanol19781-62-5CIS-4-ETHYLCYCLOHEXANOL19781-61-4Cyclohexanol, 4-ethyl-, trans-
Database identifiers
- CAS
19781-61-4、19781-62-5、4534-74-1- PubChem CID
- 78293
- DTXSID
DTXSID30196485- UNII
- 4WX4RJ6FFB、A8GG7C6AP2
- EC Number
- 224-878-1、623-192-3
- Nikkaji
- J1.260.660E、J1.260.661C、J174.548D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 72.6
Physicochemical properties
- Boiling point
- 185.667 · 185.667±8.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.909 · 0.909±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Flash point
- 78 ° · 78°
- pka
- 15.318 · 15.318±0.40(predicted)
- FDA UNII
- 4 WX4RJ6FFB · 4WX4RJ6FFB
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Hazard information
Hazard Classes and Categories
Eye Irrit. 2A (100%)
Eye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers37 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
常熟市海天医药原料有限公司13913622609 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [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]
海济医药科技（苏州）有限公司18012778619 · [email protected]
泰州精英化成医药科技有限公司523-86810021 18921709486 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
石家庄手性化学有限公司031185291771 13832391721 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Related reactions
4 records
Compound notes
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