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5-Hexen-1-ol

5-Hexen-1-ol structure

CAS No:
821-41-0
Formula:
C6H12O
Chemical Name:
5-Hexen-1-ol
Synonyms:
5-Hexen-1-ol;1-Hexen-6-ol;6-Hydroxy-1-hexene;5-Hexene-1-ol;97915-98-5
Categories:
Chemical Reagents > Organic Reagents

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Description

CLEAR COLOURLESS LIQUID Colorless liquid; green aroma.

Colourless liquid; Green aroma

5-Hexen-1-ol Basic Attributes

Molecular Weight：

100.161

Exact Mass：

100.16

EC Number：

212-477-4

UNII：

57PD1RF6G7

DSSTox ID：

DTXSID2074950

HScode：

2905290000

Characteristics

PSA：

20.2

XLogP3：

1.4

Appearance：

Colourless liquid; Green aroma

Density：

0.8453 g/cm³ @ Temp: 20 °C

Melting Point：

Boiling Point：

155.5-156.0 °C @ Press: 718 Torr

Flash Point：

47.2±0.0 °C

Refractive Index：

1.431

Water Solubility：

Miscible with water.

Storage Conditions：

Flammables area

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

1987

wgk germany：

hazard class code：

safety instructions：

S16

Marks：

F: Flammable;

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (49.02%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 208 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Hexen-1-ol Use and Manufacturing

Manufacturing Info：

5-Hexen-1-ol: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:100.16
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:100.088815002
Monoisotopic Mass:100.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:7
Complexity:41.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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