Basic information
- CAS
2207-03-6- Standard SMILES
C[C@@H]1CCC[C@@H](C)C1- InChIKey
SGVUHPSBDNVHKL-HTQZYQBOSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Names & identifiers
- Preferred name
- 1,3-Dimethylcyclohexane, trans-
- IUPAC
- trans-(1R,3R)-1,3-dimethylcyclohexane
- English name
- trans-1,3-Dimethylcyclohexane
- Molecular formula
- C8H16
- Molecular weight
- 112.21
Names & synonyms
trans-1,3-Dimethylcyclohexane2207-03-6(1R,3R)-1,3-dimethylcyclohexaneCyclohexane, 1,3-dimethyl-, trans-1,3-Dimethylcyclohexane, trans-D42IS7P1KAcyclohexane, 1,3-dimethyl-, (1R,3R)-CYCLOHEXANE, 1,3-DIMETHYL-, (1R,3R)-REL-NSC 74161NSC-741611,3-DIMETHYLCYCLOHEXANE (TRANS)RefChem:414699
Show more names
Cyclohexane, 1,3-dimethyl-1,3-Dimethylcyclohexane, transcyclohexane,1,3-dimethyl-,trans-trans-1,3-Dimethylcyclohexane >trans-1,3-Dimethylcyclohexane
trans-Hexahydro-m-xyleneMFCD000649531,trans-3-Dimethylcyclohexane1,3-dimethyl(trans)-cyclohexaneCyclohexane, trans-1,3-dimethyl-(+/-)-trans-1,3-Dimethylcyclohexanerel-(1R,3R)-1,3-DimethylcyclohexaneUNII-D42IS7P1KA
Database identifiers
- CAS
2207-03-6- PubChem CID
- 16629
- DTXSID
DTXSID70858737- UNII
- D42IS7P1KA
- EC Number
- 620-666-1
- Nikkaji
- J71J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 58.4
Physicochemical properties
- Melting point
- -90.09 °C · -90.09°C
- Boiling point
- 124 °C · 124 °C
- Density
- 0.78 · 0.78
- refractive index
- 1.43 · 1.43
- Flash point
- 9 °C · 9 °C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Heat Capacity
- 1.9 J/ · Cp(liquid): 1.9 J/(g·K), at 25℃
- Henry's Law Constant
- 1.7 · 1.7×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 42 IS7P1KA · D42IS7P1KA
- Symbol(GHS)
- 2 · GHS02,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501
- Hazard Codes
- F,Xi
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 7% (3 of 43) of reports.
Danger
H225 (93%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (93%)
Safety data
- ridadr
- 2263
- hs_code
- 2902.19.0050
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- hazard_code
- F,Xi
- safety_code
- 16-26-36/37/39
- hazard_class
- 3.1
- packing_group
- II
- Hazard statements
- H225-H304
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501
Chemistry & industry
Applications
Usestrans-1,3-Dimethylcyclohexane is used to evaluate strain energy of hydrocarbons.
Upstream & downstream products
Downstream products
Suppliers19 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]
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]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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