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3-Hexyne-2,5-diol

3-Hexyne-2,5-diol structure

CAS No:
3031-66-1
Formula:
C6H10O2
Chemical Name:
3-Hexyne-2,5-diol
Synonyms:
3-Hexyne-2,5-diol;NSC 409184
Categories:
Specialty Chemicals

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Description

Liquid

3-Hexyne-2,5-diol Basic Attributes

Molecular Weight：

114.142

Exact Mass：

114.14

EC Number：

221-209-5

UNII：

538TMM2U3G

NSC Number：

409184

DSSTox ID：

DTXSID3044910

HScode：

2905399090

Characteristics

PSA：

40.46000

XLogP3：

-0.41

Appearance：

Liquid

Density：

1.0205 g/cm³ @ Temp: 13 °C

Melting Point：

69-70 °C

Boiling Point：

122 °C @ Press: 15 Torr

Flash Point：

104.0±13.0 °C

Refractive Index：

1.490

Storage Conditions：

Keep tightly closed. Store in a cool dry place.

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

R25;R36

safety instructions：

S26-S36/37/39-S45

RTECS Number：

MR0175000

Marks：

T:Toxic

Precautionary statement(s)：

P261, P264, P270, P272, P273, P280, P301+P310, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P405, P501

Hazard Statements：

H300

GHS Classification：

|Danger|H300 (11.79%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P272, P273, P280, P301+P310, P302+P352, P305+P351+P338, P310, P314, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P405, and P501|Aggregated GHS information provided by 212 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Hexyne-2,5-diol Use and Manufacturing

Uses

Intermediates

Metal products not covered elsewhere

Manufacturing Info：

All other chemical product and preparation manufacturing|3-Hexyne-2,5-diol: ACTIVE

Computed Properties

Molecular Weight:114.14
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:40.5
Heavy Atom Count:8
Complexity:105
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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