UNII:GFO2D7A38Q

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Names

[ CAS No. ]:
78-66-0

[ Name ]:
UNII:GFO2D7A38Q

[Synonym ]:
3,6-DIMETHYL-4-OCTYN-3,6-DIOL
MFCD00004480
3,6-Dimethyl-4-octyne-3,6-diol
UNII:GFO2D7A38Q
4-OCTYN-3,6-DIOL, 3,6-DIMETHYL-
3,6-Dimethyloct-4-yne-3,6-diol
4-Octyne-3,6-diol, 3,6-dimethyl-
EINECS 201-131-8

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
214.7±8.0 °C at 760 mmHg

[ Melting Point ]:
54-55°C

[ Molecular Formula ]:
C10H18O2

[ Molecular Weight ]:
170.249

[ Flash Point ]:
85.8±13.0 °C

[ Exact Mass ]:
170.130676

[ PSA ]:
40.46000

[ LogP ]:
1.35

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.486

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RI2650000
CHEMICAL NAME :
4-Octyne-3,6-diol, 3,6-dimethyl-
CAS REGISTRY NUMBER :
78-66-0
BEILSTEIN REFERENCE NO. :
1722390
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C10-H18-O2
MOLECULAR WEIGHT :
170.28
WISWESSER LINE NOTATION :
QX2&1&1UU1XQ2&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
825 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,477,1954 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M4309 No. of Facilities: 107 (estimated) No. of Industries: 3 No. of Occupations: 3 No. of Employees: 164 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M4309 No. of Facilities: 23 (estimated) No. of Industries: 3 No. of Occupations: 2 No. of Employees: 1772 (estimated) No. of Female Employees: 909 (estimated)

Safety Information

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
22

[ Safety Phrases ]:
S22-S36/37

[ RTECS ]:
RI2650000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Butanone
  • methylpentynol
  • Acetylene
  • acetylene-bis-magnesium bromide

DownStream

  • 2-Hydroxy-2-methylbutyric acid
  • Oxalic acid
  • 2-Butanone
  • Dihydro-2,5-diethyl-2,5-dimethyl-3(2H)-furanone
  • methylpentynol
  • Acetylene
  • 3,6-Octanediol,3,6-dimethyl-
  • 3-Octanol,3,6-dimethyl-
  • 3,6-dimethyloctane
  • 4-Octene-3,6-diol, 3,6-dimethyl-

Related Compounds

  • UNII:GFO2D7A38Q
  • 2-Bromo-5-(3-methoxy-1-azetidinyl)pyridine
  • 2-[(6-Bromopyridin-3-yl)oxy]ethan-1-amine dihydrochloride
  • 1-(2,6-Diiodophenyl)propan-2-one
  • 1-(2-Chloro-3-(fluoromethyl)phenyl)hydrazine
  • 4-Chloro-N-(piperidin-3-ylmethyl)benzamide hydrochloride
  • 1-(3-Chloropropyl)-4-iodo-3-nitrobenzene
  • Ethyl 2-[1-(2-Hydroxy-1-nitroethyl)cyclopropyl]acetate
  • US10329302, Example 18
  • 1,2-Difluoro-3-difluoromethoxy-6-iodobenzene
  • 2-Chloro-3-cyano-5-iodobenzoic acid
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