Basic information
- CAS
30498-66-9- Standard SMILES
CCCCCCC(C)C- InChIKey
ZUBZATZOEPUUQF-UHFFFAOYSA-N- Molecular formula
- C9H20
- Average molar mass
- 128.25 g/mol
- Monoisotopic mass
- 128.15650064
Overview
2-methyloctane has been reported in Angelica gigas, Hypericum tomentosum, and other organisms with data available.
Names & identifiers
- Preferred name
- 2-Methyloctane
- IUPAC
- 2-methyloctane
- English name
- 2-Methyloctane
- Molecular formula
- C9H20
- Molecular weight
- 128.26
Names & synonyms
2-METHYLOCTANE3221-61-2Octane, 2-methyl-AV5KXW7I9LNSC-23695DTXSID30863125RefChem:1063840DTXCID20811791221-748-6Isononane2-Methyl octaneHeptane, dimethyl-
Show more names
2-methyl-octaneDIMETHYLHEPTANE34464-40-9MFCD000273072-METHYLOCTANE, 99%30498-66-9UNII-AV5KXW7I9LDimethyl-Heptane
Database identifiers
- CAS
30498-66-9、3221-61-2、34464-40-9、68551-15-5- PubChem CID
- 18591
- DTXSID
DTXSID30863125- UNII
- AV5KXW7I9L
- EC Number
- 221-748-6、252-053-6
- Nikkaji
- J96.499I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 46
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point143.20 °C. @ 760.00 mm Hg
Melting Point-80.1 °C
Vapor Pressure6.21 [mmHg]
Physical Description
Clear colorless liquid; [Sigma-Aldrich MSDS]
Liquid
Physicochemical properties
- Melting point
- -80.3 °C · -80.3 °C
- Boiling point
- 143.2 °C · 143.2 °C
- Density
- 0.7107 g/cm3 · 0.7107 g/cm3(Temp: 20.1 °C)
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Hazard information
Regulatory InformationOctane, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers53 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南英田生物科技有限公司0370-4053511; 18339993703 · [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]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
苏州润森药物科技有限公司0512-65885589 18751140360 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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