Basic information
- CAS
562-49-2- Standard SMILES
CCC(C)(C)CC- InChIKey
AEXMKKGTQYQZCS-UHFFFAOYSA-N- Molecular formula
- C7H16
- Average molar mass
- 100.2 g/mol
- Monoisotopic mass
- 100.12520051
Overview
3,3-dimethylpentane has been reported in Pinus densiflora, Microbiota decussata, and other organisms with data available.
Names & identifiers
- Preferred name
- 3,3-Dimethylpentane
- IUPAC
- 3,3-dimethylpentane
- English name
- 3,3-Dimethylpentane
- Molecular formula
- C7H16
- Molecular weight
- 100.2
Names & synonyms
3,3-DIMETHYLPENTANE562-49-2Pentane, 3,3-dimethyl-Pentane,3,3-dimethyl-R1RH0VBD2LDTXSID0049319NSC-74150RefChem:1113612209-230-8UNII-R1RH0VBD2L3.3-Dimethyl pentaneEINECS 209-230-8
Show more names
MFCD00009322NSC 74150NSC741503,3-dimethyl-pentaneSCHEMBL38441SCHEMBL57087SCHEMBL57088SCHEMBL83071
Database identifiers
- CAS
562-49-2- PubChem CID
- 11229
- DTXSID
DTXSID0049319- ChEMBL
CHEMBL3188231- UNII
- R1RH0VBD2L
- EC Number
- 209-230-8
- Nikkaji
- J43.408F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 38
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
LogP5.19
Vapor Pressure82.7 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -134.9 °C · -134.9 °C
- Boiling point
- 86 °C · 86 °C
- Density
- 0.6952 g/cm3 · 0.6952 g/cm3
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 225 · H225-H304-H315-H336-H410
- Precautionary statements
- 210 · P210-P233-P273-P301+P310-P303+P361+P353-P331
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
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (55.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information3,3-dimethylpentane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin irritant; Harmful by ingestion (may cause lung damage by aspiration); Inhalation may cause dizziness and drowsiness; [Alfa Aesar MSDS]
Hazard Classes and Categories
Flam. Liq. 2 (55.3%)
Flammable liquid - category 2
Flam. Liq. 2
Toxicology
TreatmentTreatment is mainly symptomatic and supportive. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. (A600)
Health EffectsPetroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. (A600, L1297)
Chemistry & industry
Pharmacology
Metabolism/MetabolitesVolatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. (A600)
Uses & manufacturing
UsesHeptanes may be found in gasoline and are widely used as solvents. They are also sold as fuel for outdoor stoves. (L1289)
Household ProductsInformation on 7 consumer products that contain 3,3-Dimethylpentane in the following categories is provided:
General Manufacturing InformationPentane, 3,3-dimethyl-: ACTIVE
Suppliers22 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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