Basic information
- CAS
926-82-9- Standard SMILES
CCC(C)CC(C)CC- InChIKey
DZJTZGHZAWTWGA-UHFFFAOYSA-N- Molecular formula
- C9H20
- Average molar mass
- 128.25 g/mol
- Monoisotopic mass
- 128.15650064
Overview
3,5-dimethylheptane is an alkane.
Names & identifiers
- Preferred name
- 3,5-Dimethylheptane
- IUPAC
- 3,5-dimethylheptane
- English name
- 3,5-Dimethylheptane
- Molecular formula
- C9H20
- Molecular weight
- 128.26
Names & synonyms
3,5-DIMETHYLHEPTANEHeptane, 3,5-dimethyl-DZJTZGHZAWTWGA-UHFFFAOYSA-DTXSID308707983,5Dimethyl heptaneHeptane, 3,5dimethylRefChem:91604DTXCID50818490621-826-3DZJTZGHZAWTWGA-UHFFFAOYSA-NInChI=1/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3926-82-9
Show more names
3,5-dimethyl-heptan3，5-Dimetyl heptaneheptane,3,5-dimethyl-3,5-Dimethylheptane>3,5-Dimethylheptane (meso + one diasteromeric pair)
3,5-Dimethyl heptaneMFCD000486593,5-Dimethylheptane, (D)3,5-dimethyl-heptane3,5-Dimethylheptane, (L)SCHEMBL83544SCHEMBL83545SCHEMBL83813
Database identifiers
- CAS
926-82-9- PubChem CID
- 13558
- DTXSID
DTXSID30870798- ChEBI
CHEBI:229285- EC Number
- 621-826-3
- Nikkaji
- J121.121H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 49.1
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Physical DescriptionColorless liquid with an acrid pungent odor; [Chem Service MSDS]
Physicochemical properties
- Melting point
- -102.89 °C · -102.89°C
- Boiling point
- 136 °C · 136 °C
- Density
- 0.73 · 0.73
- refractive index
- 1.404 · 1.4040-1.4070
- Flash point
- 23 °C · 23 °C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Water Solubility
- 319.2 ug/L · 319.2ug/L(temperature not stated)
- Henry's Law Constant
- 1.6 · 1.6×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
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
H226 (15.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummarySee Nonane.
Hazard Classes and CategoriesFlam. Liq. 3 (15.2%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- tsca
- TSCA listed
- ridadr
- 1920
- hs_code
- 2901.10.5000
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08,GHS09
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H304-H410-H226
- Precautionary statements
- P501-P273-P240-P210-P233-P243-P241-P242-P280-P370+P378-P391-P331-P303+P361+P353-P301+P310-P403+P235-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHeptane, 3,5-dimethyl-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers15 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [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]
南通合润生物科技有限公司18362409333 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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