Basic information
- CAS
5617-41-4- Standard SMILES
CCCCCCCC1CCCCC1- InChIKey
MSTLSCNJAHAQNU-UHFFFAOYSA-N- Molecular formula
- C13H26
- Average molar mass
- 182.35 g/mol
- Monoisotopic mass
- 182.20345083
Overview
heptylcyclohexane has been reported in Terminalia chebula with data available.
Names & identifiers
- Preferred name
- Heptylcyclohexane
- IUPAC
- heptylcyclohexane
- English name
- N-HEPTYLCYCLOHEXANE
- Molecular formula
- C13H26
- Molecular weight
- 182.35
Names & synonyms
n-HeptylcyclohexaneHEPTYLCYCLOHEXANECyclohexane, heptyl-n-Heptyl cyclohexaneCyclohexane, n-heptyl-EINECS 227-041-9NSC 102802DTXSID1058636RefChem:145742DTXCID9032323227-041-9MSTLSCNJAHAQNU-UHFFFAOYSA-N
Show more names
heptyl-cyclohexanHEPTYLCYCLOBENZENEHEPTYL CYCLOHEXANEcyclohexane,heptyl-Heptylcyclohexane>Cyclohexane, heptyl-N-HEPTYLCYCLOHEXANE 99+%
5617-41-41-CyclohexylheptaneHeptane, 1-cyclohexyl-MFCD00019404NSC102802SCHEMBL132739SCHEMBL891828SCHEMBL891830
Database identifiers
- CAS
5617-41-4- PubChem CID
- 21832
- DTXSID
DTXSID1058636- EC Number
- 227-041-9
- Nikkaji
- J147.945H
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -30.49 °C · -30.49°C
- Boiling point
- 244 °C · 244 °C
- Density
- 0.81 · 0.81
- refractive index
- 1.447 · 1.4470-1.4490
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 1.4 · 1.4×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 6.755 · 6.755 (est)
- CAS DataBase Reference
- 5617 · 5617-41-4(CAS DataBase Reference)
- EPA Substance Registry System
- Cyclohexane, heptyl- (5617-41-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2902.19.0050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexane, heptyl-: INACTIVE
Suppliers32 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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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