2,5-Dimethyl-3-hexyne-2,5-diol

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Names

[ CAS No. ]:
142-30-3

[ Name ]:
2,5-Dimethyl-3-hexyne-2,5-diol

[Synonym ]:
QX1&1&1UU1XQ1&1
2,5-Dimethylhex-3-yne-2,5-diol
2,5-Dimethylhexyne-2,5-diol
EINECS 205-533-4
2,5-Dimethyl-3-hexyne-2,5-diol
2,5-Dimethylhex-3-ene-2,5-diol
2,5-Dihydroxy-2,5-dimethyl-3-hexyne
MFCD00004468
3-Hexyne-2,5-diol, 2,5-dimethyl-
HD-M
2,5-Dimethyl-2,5-hexynediol

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
205.0±8.0 °C at 760 mmHg

[ Melting Point ]:
90-94 °C(lit.)

[ Molecular Formula ]:
C₈H₁₄O₂

[ Molecular Weight ]:
142.196

[ Flash Point ]:
86.0±13.0 °C

[ Exact Mass ]:
142.099380

[ PSA ]:
40.46000

[ LogP ]:
0.29

[ Vapour Pressure ]:
0.1±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.489

[ Water Solubility ]:
240 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MR0176000

CHEMICAL NAME :: 3-Hexyne-2,5-diol, 2,5-dimethyl-

CAS REGISTRY NUMBER :: 142-30-3

LAST UPDATED :: 199712

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C8-H14-O2

MOLECULAR WEIGHT :: 142.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - 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

Safety Information

[ Symbol ]:

GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H317-H334

[ Precautionary Statements ]:
P261-P280-P342 + P311

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R42/43

[ Safety Phrases ]:
S7-S36-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
MR0176000

[ HS Code ]:
29053980

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Acetone
Acetylene
3-Methyl butynol
isobutanol
tetramethylbutatriene(hexacarbonyl)diirion
Calcium carbide
2,5-dibromo-2,5-dimethyl-3-hexyne
acetylene-bis-magnesium bromide
Methanol
carbon monoxide

DownStream

cis-2,5-dimethyl-3-hexene
trans-Diisopropylethylene
2,5-Dimethylhexa-2,4-dien
2-Hexanol,2,5-dimethyl-
2,5-Dimethyl-2,5-hexanediol
2,5-DIMETHYLHEXANE
2,5-dimethoxy-2,5-dimethylhex-3-yne
2,5-dimethylhexa-1,5-dien-3-yne
2-Hydroxyisobutyric acid
Formic Acid

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%

Related Compounds

2,5-dimethyl-3,6-diphenyl-[1,4]dithiane-2,5-diol
1,1,1,6,6,6-hexafluoro-2,5-bis(trifluoromethyl)-3-hexyne-2,5-diol
2,5-Dimethyl-3,4-hexanediol
2,5-dimethyl-3,4-diphenyl-hexane-3,4-diol
2,5-dimethyl-3,4-di-iso-propyl-3,4-hexanediol
2,5-dimethyl-3,4-diphenylselenolane-3,4-diol
2-Acetamido-3-(4-methyl-1,2,5-oxadiazol-3-yl)propanoic acid
1-methyl-5-{[(prop-2-en-1-yloxy)carbonyl]amino}-1H-pyrazole-3-carboxylic acid
2-Acetamido-3,4,5-trifluorobenzoic acid
(2S,4R)-4-carbamoyl-4-fluoro-2-{[(prop-2-en-1-yloxy)carbonyl]amino}butanoic acid
tert-butyl N-(2,2,2-trichloroethyl)carbamate
3,5-Dichloro-4-acetamidopyridine-2-carboxylic acid
1-Acetyl-5-cyclohexylpiperidine-2-carboxylic acid
tert-butyl N-(5-chloro-4-cyanopyridin-2-yl)carbamate
2-methyl-5-[(prop-2-en-1-yloxy)carbonyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
benzyl N-[(3E)-4-bromobut-3-en-1-yl]carbamate

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