UNII:GFO2D7A38Q

Modify Date: 2025-08-21 19:38:06

UNII:GFO2D7A38Q structure	Common Name	UNII:GFO2D7A38Q
	CAS Number	78-66-0	Molecular Weight	170.249
	Density	1.0±0.1 g/cm3	Boiling Point	214.7±8.0 °C at 760 mmHg
	Molecular Formula	C₁₀H₁₈O₂	Melting Point	54-55°C
	MSDS	N/A	Flash Point	85.8±13.0 °C

Name	3,6-Dimethyl-4-octyne-3,6-diol
Synonym	More Synonyms

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

UNII:GFO2D7A38Q MSDS(Chinese)

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)

Hazard Codes	Xn
Risk Phrases	22
Safety Phrases	S22-S36/37
RTECS	RI2650000

2-Butanone

CAS#:78-93-3

methylpentynol

CAS#:77-75-8

UNII:GFO2D7A38Q

CAS#:78-66-0

Literature: EP1808426 A1, ; Page/Page column 5 ;

methylpentynol

CAS#:77-75-8

UNII:GFO2D7A38Q

CAS#:78-66-0

Literature: Journal of the American Chemical Society, , vol. 76, p. 4446,4449

2-Butanone

CAS#:78-93-3

Acetylene

CAS#:74-86-2

UNII:GFO2D7A38Q

CAS#:78-66-0

Literature: Justus Liebigs Annalen der Chemie, , vol. 442, p. 80

2-Butanone

CAS#:78-93-3

UNII:GFO2D7A38Q

CAS#:78-66-0

Literature: US2250445 , ;

acetylene-bis-m...

CAS#:4301-15-9

2-Butanone

CAS#:78-93-3

UNII:GFO2D7A38Q

CAS#:78-66-0

Literature: Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, , vol. 48, p. 550 Chem. Zentralbl., , vol. 94, # I p. 1486 Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, , vol. 35, p. 1275 Annales de Chimie (Cachan, France), , vol. <8> 30, p. 492

Precursor 4
CAS#:78-93-3 2-Butanone CAS#:77-75-8 methylpentynol CAS#:74-86-2 Acetylene CAS#:4301-15-9 acetylene-bis-m...
DownStream 10
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CAS#:77-75-8 methylpentynol CAS#:74-86-2 Acetylene CAS#:78-65-9 3,6-Octanediol,... CAS#:151-19-9 3-Octanol,3,6-d...
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