Results for:
PubChem ID: 8087

1-(2-hydroxypropoxy)propan-2-ol

Compound Details

Synonymous names
110-98-5
1,1'-OXYDI-2-PROPANOL
1,1-Oxydi-2-Propanol
1,1'-Oxybis(propan-2-ol)
2-Propanol, 1,1'-oxybis-
1,1'-Oxydipropan-2-ol
Bis(2-hydroxypropyl) ether
1,1'-Oxybis-2-propanol
1-(2-hydroxypropoxy)propan-2-ol
4-Oxaheptane-2,6-diol
2,2'-Dihydroxydipropyl ether
2-Propanol, 1,1'-oxydi-
1,1'-Dimethyldiethylene glycol
NSC 8688
1,1'-Oxybis(2-propanol)
DTXSID7026863
D5SV08985Z
DTXCID206863
NIAX catalyst D-19
CAS-110-98-5
HSDB 2854
EINECS 203-821-4
BRN 1698372
UNII-D5SV08985Z
AI3-01233
2-Propanol,1'-oxydi-
2-Propanol,1'-oxybis-
Di-1,2-propylene glycol
Di-(2-hydroxypropyl)-ether
SCHEMBL35798
bis-(2-hydroxy-propyl) ether
2,2'-Dihydroxyisopropyl ether
CHEMBL3182176
NSC8688
WLN: QY1 & 1O1YQ1
2-PROPANOL,1,1'-OXYDI-
NSC-8688
Tox21_201485
Tox21_303094
MFCD00004538
AKOS006229360
1,1'-OXYDI-2-PROPANOL [HSDB]
NCGC00249053-01
NCGC00249053-02
NCGC00257025-01
NCGC00259036-01
LS-13224
CS-0154036
NS00002558
G66875
EN300-6763681
A855768
W-109061
Q22829651
Microorganism:

Yes

IUPAC name1-(2-hydroxypropoxy)propan-2-ol
SMILESCC(COCC(C)O)O
InchiInChI=1S/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3
FormulaC6H14O3
PubChem ID8087
Molweight134.17
LogP-0.4
Atoms9
Bonds4
H-bond Acceptor3
H-bond Donor2
Chemical Classificationalcohols ethers

mVOC Specific Details

Boiling Point
DegreeReference
232.8 °C peer reviewed
Volatilization
The Henry's Law constant for 2,2'-dihydroxydi-n-propyl ester is estimated as 3.6X10-9 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2,2'-dihydroxydi-n-propyl ester is expected to be essentially nonvolatile from moist soil and water surfaces(2). 2,2'-Dihydroxydi-n-propyl ester is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 6.3X10-3 mm Hg(SRC), determined from a fragment constant method(1).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2,2'-dihydroxydi-n-propyl ester can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,2'-dihydroxydi-n-propyl ester is expected to have very high mobility in soil.

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno