2,2-Dimethoxypropane

HCID 6495CAS 77-76-9
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(C)(C)OC
InChIKey
HEWZVZIVELJPQZ-UHFFFAOYSA-N
Molecular formula
C5H12O2
Average molar mass
104.15 g/mol
Monoisotopic mass
104.08372962

Names & identifiers

Preferred name
2,2-Dimethoxypropane
IUPAC
2,2-dimethoxypropane
English name
2,2-Dimethoxypropane
Molecular formula
C5H12O2
Molecular weight
104.15

Names & synonyms

2,2-DIMETHOXYPROPANE77-76-9Acetone dimethyl acetalPropane, 2,2-dimethoxy-Acetone dimethyl ketalDTXSID7026441NSC-62085DTXCID00644166P41R0030RefChem:81029201-056-0Acetone, dimethyl acetal
Show more names
DMP)2,2-DiMethoxyAcetone dimethyl acetal, DMPC.I. 777692,2-dimethoxy-propanDimolybdenum trioxide
acetone dimethylacetal2,2-dimethoxy-propaneGadobutrol Impurity 16MFCD00008479Acetone-dimethyl acetal2,2-DimethyoxypropaneEINECS 201-056-0NSC 62085

Database identifiers

CAS
77-76-9
PubChem CID
6495
DTXSID
DTXSID7026441
ChEMBL
CHEMBL3184215
UNII
66P41R0030
EC Number
201-056-0
Nikkaji
J35.930K

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
7

Experimental & physicochemical properties

Density0.847 @25 °C
Boiling Point83 °C @760 [mm Hg]
Melting Point-47 °C
Physical DescriptionClear colorless liquid; [MSDSonline]
Kovats Retention Index · 2 items

638

615；616；620；627

Physicochemical properties

Melting point
-47 °C · -47 °C
Boiling point
83 °C · 83 °C (lit.)
Density
0.847 g/mL · 0.847 g/mL at 25 °C (lit.)
vapor density
3.59 · 3.59 (vs air)
vapor pressure
60 mm · 60 mm Hg ( 15.8 °C)
refractive index
20 · n20/D 1.378(lit.)

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.3% (5 of 222) of reports.

Danger

H225 (97.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (59%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (10.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 222 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 5 of 222 reports by companies.；There are 21 notifications provided by 217 of 222 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: Propane, 2,2-dimethoxy-

Status: Active Update: 28-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7384；Status: Active Update: 24-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15899

2,2-Dimethoxypropane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn eye irritant; [eChemPortal: ERMA] An irritant; [MSDSonline]
Peroxide Forming Chemical · 4 items

2,2-Dimethoxypropane

D*: Other compounds that may form peroxides

2 samples had 3-10 ppm peroxide; age >1 yrs

Management of time-sensitive chemicals (JCHAS)

Hazard Classes and CategoriesFlam. Liq. 2 (97.7%)；Skin Irrit. 2 (59%)；Eye Irrit. 2A (97.3%)；STOT SE 3 (10.4%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

2.8 [ppm]

31 [ppm]

190 [ppm]

Regulatory information

Regulatory Information · 3 items

Chemical: Propane, 2,2-dimethoxy-

Status: Active Update: 28-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7384；Status: Active Update: 24-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15899

2,2-Dimethoxypropane: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F
10-21
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
tsca
TSCA listed
ridadr
UN 1993 3/PG 2
hs_code
29110000

Chemistry & industry

Uses & manufacturing

UsesDehydrating agent in electron microscopy specimen preparation. [ChemIDplus]
General Manufacturing InformationPropane, 2,2-dimethoxy-: ACTIVE
Applications · 3 items

Uses2,2-Dimethoxypropane acts as a dehydrating agent. It also serves as an intermediate in the synthesis of vitamin E, vitamin A and various carotenoids such as astaxanthin. It is used as a reagent for the preparation of 1,2-diols, acetonides, isopropylidene derivatives of sugars, nucleosides, methyl esters of amino acids and enol ethers.

Uses2,2-Dimethoxypropane(DMP) is used in histology and considered to be more efficient than ethanol for the dehydration of animal tissue.

General Description2,2-Dimethoxypropane is an organic compound, which may be used as a protecting agent in the process of the synthesis of structurally related alkaloids like narciclasine and lycoricidine using phenylbromide as the starting material.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

860 records
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Linked notes

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