5-Methylhexan-2-ol

HCID 12323CAS 627-59-8

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Basic information

Standard SMILES: CC(C)CCC(C)O
InChIKey: ZDVJGWXFXGJSIU-UHFFFAOYSA-N
Molecular formula: C7H16O
Average molar mass: 116.204 g/mol
Monoisotopic mass: 116.12011513

Names & identifiers

Preferred name: 5-Methylhexan-2-ol
IUPAC: 5-Methylhexan-2-ol
English name: 5-Methyl-2-hexanol
Molecular formula: C7H16O
Molecular weight: 116.2

Names & synonyms

5-methylhexan-2-ol2-Hexanol, 5-methyl-2-METHYL-5-HEXANOL5-Methyl-2-hexanol5-Methylhexanol-(2)5-Methyl-2-hexanol>5-Methyl-2-hexanol,98%(2S)-5-methyl-2-hexanolMETHYL ISOAMYL CARBINOLmethyl isopentyl carbinol

Database identifiers

CAS: 627-59-8
PubChem CID: 12323
DTXSID: DTXSID50870730
EC Number: 211-004-9
Nikkaji: J95.495K

Properties

Physicochemical properties

Melting point: -30.45 °C · -30.45°C (estimate)
Boiling point: 148 · 148-150 °C (lit.)
Density: 0.819 g/mL · 0.819 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.417(lit.)
Flash point: 115 °F · 115 °F
storage temp.: Flammables area
pka: 15.28 · 15.28±0.20(Predicted)
form: clear liquid
color: Colorless to Almost colorless
BRN: 1731619 · 1731619
Henry's Law Constant: 1.6 · 1.6×10-1 mol/(m3Pa) at 25℃, Wang et al. (2017)
InChI: 1S/C7H16O/c1-6(2)4-5-7(3)8/h6-8H,4-5H2,1-3H3
InChIKey: ZDVJGWXFXGJSIU-UHFFFAOYSA-N
SMILES: CC(C)CCC(C)O
LogP: 2.055 · 2.055 (est)
CAS DataBase Reference: 627 · 627-59-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P240-P241-P280a-P303+P361+P353-P501a
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Risk Statements: 10 · 10
Safety Statements: 16 · 16
RIDADR: 1987 · UN 1987 3/PG 3
WGK Germany: 3 · 3
HazardClass: 3 · 3
PackingGroup: III
HS Code: 2905190098 · 2905190098
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1987 3/PG 3
hs_code: 2905190098
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS02
safety_code: 16
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210-P240-P241-P280a-P303+P361+P353-P501a

Chemistry & industry

Applications

Uses5-Methyl-2-hexanol has been used as internal standard for rapid extraction of aroma compounds from grape brandies and aqueous-alcoholic wood extracts by ultrasound.

General Description5-Methyl-2-hexanol is a non-crystallizable secondary alcohol and its complex relative permittivity has been measured over wide range of temperatures and pressures.

Upstream & downstream products

Upstream raw materials

Downstream products

2-Amino-5-methylhexane

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Syntechem Co.,Ltd[email protected]

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