1,1-Bis(hydroxymethyl)cyclopropane

HCID 4101437
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Basic information

CAS
39590-81-3
Standard SMILES
OCC1(CO)CC1
InChIKey
YAINYZJQSQEGND-UHFFFAOYSA-N
Molecular formula
C5H10O2
Average molar mass
102.13 g/mol
Monoisotopic mass
102.06807956

Names & identifiers

Preferred name
1,1-Bis(hydroxymethyl)cyclopropane
IUPAC
[1-(hydroxymethyl)cyclopropyl]methanol
English name
1,1-Bis(hydroxymethyl)cyclopropane
Molecular formula
C5H10O2
Molecular weight
102.13

Names & synonyms

1,1-Bis(hydroxymethyl)cyclopropane1,1-CyclopropanedimethanolDTXSID20399327RefChem:409713DTXCID70350185609-723-139590-81-3[1-(hydroxymethyl)cyclopropyl]methanol(1-Hydroxymethylcyclopropyl)MethanolCYCLOPROPANE-1,1-DIYLDIMETHANOLCyclopropanedimethanolMFCD00464207
Show more names
1,1-DIMETHYLCYCLOPROPANECYCLOPROPANE DIMETHANOL1,1-Cyclopropyl1,1-Cyclopropane1,1-Bis(hydroxymethy1,1-Bis(hydroxymethyLcyclopropyl dimethanol1,1-DIMETHOLCYCLOPROPANE
(Cyclopropane-1,1-diyl)dimethanol1,1-dihydroxymethylcyclopropane(1-Hydroxymethyl-cyclopropyl)-methanolAKOS0159006091,1-Cyclopropyldimethanol1,1-cyclopropane dimethanol1,1-Cyclopropanedimethanol; 1,1-Di(hydroxymethyl)cyclopropane; 2,2-(1,2-Ethylene)-1,3-propanediol; Cyclopropane-1,1-bis(methanol);EC 609-723-1

Database identifiers

CAS
39590-81-3
PubChem CID
4101437
DTXSID
DTXSID20399327
EC Number
609-723-1
Nikkaji
J545.895A

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
7

Physicochemical properties

Boiling point
235 · 235-236 °C(lit.)
Density
1.065 g/mL · 1.065 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.4700(lit.)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform, Ethyl Acetate (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 28-06-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16793
Hazard Classes and CategoriesEye Irrit. 2A (100%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29021990
risk_code
36
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses1,1-Bis(hydroxymethyl)cyclopropane is used in the synthesis of morphine alkaloids. It also serves as an inhibitor of 5-lipoxygenase.

Upstream & downstream products

Suppliers100 total

常州佳德医药科技有限公司18006124028
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
山东前元高分子材料有限公司18678041314 18765609661 · [email protected]
上海亚兴生物医药科技有限公司021-58956006,021-58950017 15800617331 · [email protected]

Related reactions

20 records
New reaction record

Compound notes

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