Cyclohexane, 1,1'-(1,1,3-trimethyl-1,3-propanediyl)bis-
Basic information
- CAS
38970-72-8- Standard SMILES
CC(CC(C)(C)C1CCCCC1)C1CCCCC1- InChIKey
XUVKLBIJXLIPDZ-UHFFFAOYSA-N- Molecular formula
- C18H34
- Average molar mass
- 250.5 g/mol
- Monoisotopic mass
- 250.26605109
Names & identifiers
- Preferred name
- Cyclohexane, 1,1'-(1,1,3-trimethyl-1,3-propanediyl)bis-
- IUPAC
- (4-cyclohexyl-2-methylpentan-2-yl)cyclohexane
- English name
- 2,4-Dicyclohexyl-2-methylpentane
- Molecular formula
- C18H34
- Molecular weight
- 250.46
Names & synonyms
38970-72-8Cyclohexane, 1,1'-(1,1,3-trimethyl-1,3-propanediyl)bis-EINECS 254-227-7DTXSID208659361,1'-(1,1,3-Trimethylpropane-1,3-diyl)bis(cyclohexane)RefChem:580418DTXCID40814289254-227-72,4-DICYCLOHEXYL-2-METHYLPENTANE2,4-Dicylohexyl-2-methylpentane(4-cyclohexyl-2-methylpentan-2-yl)cyclohexane1,1'-(2-methylpentane-2,4-diyl)dicyclohexane
Show more names
HLDDelta-toxinDelta-hemolysin2-Methyl-2,4-dicyclohexylpentane2,4-DICYCLOHEXYL-2-METHYLPENTANE 97%2,4-Dicyclohexyl-2-methylpentane,97%1,1'-(1,1,3-TRIMETHYL-1,3-PROPANEDIYL)BISCYCLOHEXANE1,1’-(1,1,3-trimethyl-1,3-propanediyl)bis-cyclohexan
(4-cyclohexyl-2-methyl-pentan-2-yl)cyclohexaneSCHEMBL746973XUVKLBIJXLIPDZ-UHFFFAOYSA-N2-Methyl-2,4-dicyclohexyl-pentanAKOS015913579DB-239529NS00004458ST50405475
Database identifiers
- CAS
38970-72-8- PubChem CID
- 94492
- DTXSID
DTXSID20865936- EC Number
- 254-227-7
- Nikkaji
- J53.474I
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- -30 °C · -30 °C
- Boiling point
- 112 °C · 112 °C (0.7 mmHg)
- Density
- 0.88 · 0.88
- vapor pressure
- 0.06 Pa · 0.06Pa at 20℃
- refractive index
- 1.4878 · 1.4878-1.4898
- Flash point
- 128 °C · 128 °C
- storage temp.
- -20 °C · -20°C
- form
- buffered aqueous solution
- biological source
- rabbit
- Water Solubility
- 50 μg/L · 50μg/L at 20℃
- Henry's Law Constant
- 2.9 · 2.9×10-6 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- LogP
- 7.2 at · 7.2 at 35℃
- EPA Substance Registry System
- 1 · Cyclohexane, 1,1'-(1,1,3-trimethyl-1,3-propanediyl)bis- (38970-72-8)
- UNSPSC Code
- 12352203 · 12352203
- NACRES
- 41 · NA.41
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
H315 (93.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Cyclohexane, 1,1'-(1,1,3-trimethyl-1,3-propanediyl)bis-
REACH registered substance: 1,1'-(1,1,3-trimethylpropane-1,3-diyl)bis(cyclohexane) (EC: 254-227-7)
Hazard Classes and CategoriesSkin Irrit. 2 (93.5%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29029000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexane, 1,1'-(1,1,3-trimethyl-1,3-propanediyl)bis-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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