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3-(Methylthio)-1-hexanol

3-(Methylthio)-1-hexanol structure

CAS No:
51755-66-9
Formula:
C7H16OS
Chemical Name:
3-(Methylthio)-1-hexanol
Synonyms:
1-Hexanol,3-(methylthio)-;3-(Methylthio)-1-hexanol;3-(Methylthio)hexanol;3-Methylsulfanylhexan-1-ol;149403-20-3
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

3-Methylthio-1-hexanol has a sulfurous onion, garlic green, vegetable odor. CLEAR SLIGHTLY YELLOW LIQUID

colourless liquid with sulfurous onion, garlic green vegetable odour

3-(Methylthio)-1-hexanol Basic Attributes

Molecular Weight：

148.27

Exact Mass：

148.27

EC Number：

257-380-8

HScode：

2930909090

Characteristics

PSA：

45.5

XLogP3：

1.81

Appearance：

Colorless liquid

Density：

1.0±0.1 g/cm3

Boiling Point：

61-62 °C10 mm Hg(lit.)

Flash Point：

226 °F

Refractive Index：

1.476

Water Solubility：

2087 mg/L @ 25 °C (est)|insoluble in water

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Hazard category：

Transport codes：

UN 3334

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (92.19%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 1473 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(Methylthio)-1-hexanol Use and Manufacturing

Uses

GB 2760-1996 stipulates the allowable food flavors.

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:148.27
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:148.09218630
Monoisotopic Mass:148.09218630
Topological Polar Surface Area:45.5
Heavy Atom Count:9
Complexity:56.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Methylthio)-1-hexanol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3-(Methylthio)-1-hexanol

SDS

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