2,5- hexyne diol

Modify Date: 2024-01-02 12:02:03

2,5- hexyne diol Structure
2,5- hexyne diol structure
 Common Name 2,5- hexyne diol
CAS Number 3031-66-1 Molecular Weight 114.142
Density 1.1±0.1 g/cm3 Boiling Point 221.9±8.0 °C at 760 mmHg
Molecular Formula C6H10O2 Melting Point 42 °C(lit.)
MSDS N/A Flash Point 104.0±13.0 °C

 Names

Name 3-Hexyn-2,5-diol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 221.9±8.0 °C at 760 mmHg
Melting Point 42 °C(lit.)
Molecular Formula C6H10O2
Molecular Weight 114.142
Flash Point 104.0±13.0 °C
Exact Mass 114.068077
PSA 40.46000
LogP -0.41
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.490

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MR0175000
CHEMICAL NAME :
3-Hexyne-2,5-diol
CAS REGISTRY NUMBER :
3031-66-1
BEILSTEIN REFERENCE NO. :
1720667
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C6-H10-O2
MOLECULAR WEIGHT :
114.16
WISWESSER LINE NOTATION :
QY1&1UU1YQ1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 4,378,1952 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0847 No. of Facilities: 27 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 294 (estimated) No. of Female Employees: 27 (estimated)

 Safety Information

Hazard Codes T:Toxic
Risk Phrases R25;R36
Safety Phrases S26-S36/37/39-S45
RIDADR UN 2811 6.1/PG 3
WGK Germany 2
RTECS MR0175000
Packaging Group III
Hazard Class 6.1(b)
HS Code 2905399090

 Synthetic Route

ch3cho structure

ch3cho

CAS#:75-07-0

Acetylene structure

Acetylene

CAS#:74-86-2

~%

2,5- hexyne diol Structure

2,5- hexyne diol

CAS#:3031-66-1

3-Butyn-2-ol structure

3-Butyn-2-ol

CAS#:2028-63-9

Literature: Acetylene Chemistry S.102 DE726714 , ; DRP/DRBP Org.Chem. Justus Liebigs Annalen der Chemie, , vol. 596, p. 65
Cellulose microcrystalline structure

Cellulose micro...

CAS#:9004-34-6

~%

2,5- hexyne diol Structure

2,5- hexyne diol

CAS#:3031-66-1

Literature: Environmental Science and Technology, , vol. 33, # 15 p. 2584 - 2592
(2R,3E,5S)-3,4-dibromohex-3-ene-2,5-diol structure

(2R,3E,5S)-3,4-...

CAS#:31556-90-8

~%

2,5- hexyne diol Structure

2,5- hexyne diol

CAS#:3031-66-1

Literature: Synthetic Communications, , vol. 20, # 12 p. 1877 - 1884
ch3cho structure

ch3cho

CAS#:75-07-0

3-Butyn-2-ol structure

3-Butyn-2-ol

CAS#:2028-63-9

~%

2,5- hexyne diol Structure

2,5- hexyne diol

CAS#:3031-66-1

Literature: Tetrahedron, , vol. 46, # 11 p. 4063 - 4082
ch3cho structure

ch3cho

CAS#:75-07-0

~%

2,5- hexyne diol Structure

2,5- hexyne diol

CAS#:3031-66-1

Literature: Bulletin de la Societe Chimique de France, , vol. <3>32, p. 552 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 149, p. 1381 Annales de Chimie (Cachan, France), , vol. <8> 30, p. 494
Ethanol structure

Ethanol

CAS#:64-17-5

3,4-dibromo-hex-3-ene-2,5-diol structure

3,4-dibromo-hex...

CAS#:176042-55-0

~%

2,5- hexyne diol Structure

2,5- hexyne diol

CAS#:3031-66-1

Literature: Bulletin de la Societe Chimique de France, , vol. <3>32, p. 552 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 149, p. 1381 Annales de Chimie (Cachan, France), , vol. <8> 30, p. 494

 Customs

HS Code 2905399090
Summary 2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

 Synonyms

3-HEXYNE-2,5-DIOL,DL AND MESO
Bis(1-hydroxyethyl)acetylene
hex-3-yne-2,5-diol
hex-3-yn-2,5-diol
3-hexine-2,5-diol
EINECS 221-209-5
3-Hexyne-2,5-diol
UNII:538TMM2U3G
Hexyne-3-diol-2,5
3-Hexin-2,5-diol
Hex-3-in-2,5-diol
Hx-3-yne-2,5-diol
MFCD00004542
HD
2,5- hexyne diol
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