Neopentyl glycol

Suppliers

Names

[ CAS No. ]:
126-30-7

[ Name ]:
Neopentyl glycol

[Synonym ]:
Neopentyl glycol (NPG)
2,2-Bis(hydroxymethyl)propane
1,3-Propanediol, 2,2-dimethyl-
NPG Glycol,Neopentylglycol
2,2-Dihydroxy-2,2-dimethylpropane
2,2-dimethylpropane-1,3-diol
Neopentyl glycol
EINECS 204-781-0
2,2-Dimethyl-1,3-propanediol
MFCD00004685

Chemical & Physical Properties

[ Density]:
1.06

[ Boiling Point ]:
208 ºC

[ Melting Point ]:
122-128 ºC

[ Molecular Formula ]:
C₅H₁₂O₂

[ Molecular Weight ]:
104.148

[ Flash Point ]:
107.2±0.0 °C

[ Exact Mass ]:
104.083733

[ PSA ]:
40.46000

[ LogP ]:
-0.34

[ Vapour density ]:
3.6 (vs air)

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

[ Index of Refraction ]:
1.445

[ Stability ]:
Stable. Incompatible with strong oxidizing agents, acetic anhydride, acid chlorides, moisture. Combustible.

[ Water Solubility ]:
830 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TY5775000

CHEMICAL NAME :: 1,3-Propanediol, 2,2-dimethyl-

CAS REGISTRY NUMBER :: 126-30-7

BEILSTEIN REFERENCE NO. :: 0605291

LAST UPDATED :: 199706

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C5-H12-O2

MOLECULAR WEIGHT :: 104.17

WISWESSER LINE NOTATION :: Q1X1&1&1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 39000 ppm/6H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83578 No. of Facilities: 497 (estimated) No. of Industries: 11 No. of Occupations: 37 No. of Employees: 15135 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83578 No. of Facilities: 367 (estimated) No. of Industries: 11 No. of Occupations: 14 No. of Employees: 6957 (estimated) No. of Female Employees: 1200 (estimated)

Safety Information

[ Symbol ]:

GHS05

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H318

[ Precautionary Statements ]:
P280-P305 + P351 + P338

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

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36

[ Safety Phrases ]:
S26-S36-S39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
TY5775000

[ HS Code ]:
2905399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

3-Hydroxy-2,2-dimethylpropanal
1,4-Dioxane
Isobutyraldehyde
Diethyl dimethylmalonate
2,2-bis(4-oxopentyl 2',2'-dimethylpropylene ketal)piperidine
Formaldehyde
3-(methoxymethoxy)-2,2-dimethylpropan-1-ol
5,5-dimethyl-1,3-dioxan-4-ol
2,2-Dimethylmalonic acid
(3a'R,6a'S)-5,5-dimethyltetrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalen]-5'(3'H)-one

DownStream

3-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-3-buten-2-one
2-bromo-5,5-dimethyl-1,3,2-dioxaphosphinane
(2,2-dimethyl-3-phenoxypropoxy)benzene
2-(3-bromopropyl)-5,5-dimethyl-1,3-dioxane
2-(4-bromophenyl)-5,5-dimethyl-1,3-dioxane
2-(4-bromophenyl)-2,5,5-trimethyl-1,3-dioxane
2-(3-BROMO-2,2-DIMETHYLPROPYL)ISOINDOLINE-1,3-DIONE
3-Bromo-2,2-dimethyl-1-propanol
acetic acid (3-bromo-2,2-dimethyl-1-propyl)ester

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%

Articles

Thermal stability of purified and reconstituted CFTR in a locked open channel conformation.

Protein Expr. Purif. 116 , 159-66, (2015)

CFTR is unique among ABC transporters as the only one functioning as an ion channel and from a human health perspective because mutations in its gene cause cystic fibrosis. Although considerable advan...

Understanding the cellular function of TRPV2 channel through generation of specific monoclonal antibodies.

PLoS ONE 8 , e85392, (2014)

Transient receptor potential vanilloid 2 (TRPV2) is a Ca(2+)-permeable nonselective cation channel proposed to play a critical role in a wide array of cellular processes. Although TRPV2 surface expres...

Occurrence of short chain aliphatic diols in human blood: identification by gas chromatography-mass spectrometry.

Clin. Chim. Acta 155(2) , 117-22, (1986)

Patients attending a general hospital for various reasons were screened for raised serum gamma glutamyltransferase (gamma-GT) and positive blood alcohol concentration (BAC). The results served as obje...