Results for:
PubChem ID: 1030

Propane-1,2-diol

Mass-Spectra

Compound Details

Synonymous names
propylene glycol
1,2-propanediol
propane-1,2-diol
57-55-6
1,2-Propylene glycol
1,2-dihydroxypropane
2-Hydroxypropanol
Isopropylene glycol
Methylethyl glycol
Methylethylene glycol
Monopropylene glycol
Dowfrost
Sirlene
Trimethyl glycol
2,3-Propanediol
Propylene Glycol USP
Solargard P
alpha-Propyleneglycol
Solar Winter BAN
dl-Propylene glycol
DL-1,2-Propanediol
Methyl glycol
Ucar 35
1,2-Propylenglykol
(RS)-1,2-Propanediol
Sentry Propylene Glycol
PG 12
FEMA No. 2940
(+-)-1,2-Propanediol
Kilfrost ABC-S
(+-)-Propylene glycol
Caswell No. 713
General lube
Kollisolv pg
CCRIS 5929
HSDB 174
1,2 Propanediol
All purpose lubricant
AI3-01898
alpha-Propylene glycol
1,2-Propylenglykol [German]
NSC 69860
HOCH2CH(OH)Me
MeCH(OH)CH2OH
EPA Pesticide Chemical Code 068603
CHEBI:16997
Propyleneglycolum
.alpha.-Propylene glycol
CH3CH(OH)CH2OH
HOCH2CH(OH)CH3
1,2-(RS)-Propanediol
propylene glycerol
Propylene glycol (solvent)
1,2-propandiol
EINECS 200-338-0
(+/-)-1,2-propanediol
1000PG
NSC-69860
SDM No. 27
1,2-propane-diol
Ins-1520
UNII-6DC9Q167V3
BRN 1340498
L-1,2-propanediol
DTXSID0021206
PROPANEDIOL-
6DC9Q167V3
Propylene glycol dl-form
S-(+)-Propylene glycol
MFCD00064272
Ins no.1520
123120-98-9
propylenglycol
Propylene glycol [USP:JAN]
DTXCID901206
1,2-Propanediol (8CI,9CI)
1,2-PDO
E-1520
EC 200-338-0
(2RS)-PROPANE-1,2-DIOL
NSC69860
Poly(propylene glycol) average Mn 400
NCGC00090739-02
Poly(propylene glycol) average Mn 2000
Poly(propylene glycol) average Mn 4000
( inverted exclamation markA)-1,2-Propanediol
Prolugen
Propylene glycol (USP:JAN)
PROPYLENE GLYCOL (II)
PROPYLENE GLYCOL [II]
propylene-glycol
C3H8O2
Propan-1,2-Diol
Ilexan P
PROPYLENE GLYCOL (MART.)
PROPYLENE GLYCOL [MART.]
PROPYLENE GLYCOL (USP-RS)
PROPYLENE GLYCOL [USP-RS]
1,2-(RS)-Propanediol; 1,2-Dihydroxypropane; 1,2-Propylene glycol
PROPYLENE GLYCOL (EP MONOGRAPH)
PROPYLENE GLYCOL [EP MONOGRAPH]
Glycol, Propylene
CAS-57-55-6
PROPYLENE GLYCOL (USP MONOGRAPH)
PROPYLENE GLYCOL [USP MONOGRAPH]
63625-56-9
GLYCEROL IMPURITY C (EP IMPURITY)
GLYCEROL IMPURITY C [EP IMPURITY]
1,2-propane diol
()-1,2-propanediol
(S)-(+)-Propylene glycerol
Propilenoglicol
Propylenglykol
Propylenglycolum
Systane Balance
Metiletilenglicol
Propyleeniglykoli
Vet Lube
Glicol propilenico
Glikol propylenowy
1-2-propanediol
1.2-propanediol
OB Lube
2-Dihydroxypropanol
Propylene glycol; (RS)-propane-1,2-diol; Glycerol Imp. C (EP); GR 43314X; Glycerol Impurity C
Systane COMPLETE
1,2 -propanediol
Lubiseptol Lubricant
1,2-Hydroxypropane
1,2-propyleneglycol
Propylene Glycol (Propane-1,2-diol)
Propane-1,2-glycol
LS-1391
DEROFEN MIEL
Sirlene /Former use/
KETO-TREAT
Propylene glycol, USP
Sterile Lubricant drops
Systane COMPLETE PF
Propylene glycol (TN)
racemic propylene glycol
racemic 1,2-propanediol
DSSTox_CID_1206
Walgreen Sterile Lubricant
Propylene Glycol U.S.P.
bmse000302
Epitope ID:161748
GENERAL OB LUBRICANT
propylene glycol cefatrizine
CVS Health Lubricant Drops
1,2-Propanediol 100 microg/mL in Acetonitrile
DSSTox_RID_78594
Propylene glycol, FCC, FG
DSSTox_GSID_27863
3-01-00-02142 (Beilstein Handbook Reference)
MLS001055394
PROPYLENE GLYCOL [MI]
WLN: QY1&1Q
Eyelash and Eyebrow Lengthener
PROPYLENE GLYCOL [FCC]
PROPYLENE GLYCOL [JAN]
CHEMBL286398
GR12
Propylene glycol (JP17/USP)
1,2-Propanediol, ACS reagent
CVS Lubricant Eye Drops 15mL
PROPYLENE GLYCOL [FHFI]
PROPYLENE GLYCOL [HSDB]
PROPYLENE GLYCOL [INCI]
PROPYLENE GLYCOL [VANDF]
(.+/-.)-1,2-Propanediol
PROPYLENE GLYCOL [WHO-DD]
PROPYLENE GLYCOL [WHO-IP]
HMS3039O11
1,2-Propanediol, LR, >=99%
BCP23677
CRB71005
HY-Y0921
NSC35747
NSC35748
NSC35749
Tox21_111003
Tox21_201812
Tox21_300006
Tox21_301441
1,2-Propanediol, USP, 99.5%
BBL011472
NSC-35747
NSC-35748
NSC-35749
STL146584
1,2-Propanediol, analytical standard
Equate Support Moisture Lubricant Eye
1,2-Propanediol, puriss., 99.5%
AKOS000121049
AKOS016355793
PROPYLENE GLYCOL DL-FORM [MI]
Walgreens Complete Lubricant Eye Drops
DB01839
MCULE-5574440784
SB44656
SB44657
PROPYLENEGLYCOLUM [WHO-IP LATIN]
Restorative Formula Lubricant Eye Drops
USEPA/OPP Pesticide Code: 068603
NCGC00090739-01
NCGC00090739-03
NCGC00090739-04
NCGC00254159-01
NCGC00255183-01
NCGC00259361-01
1,2-Propanediol, ReagentPlus(R), 99%
BP-21014
E490
HEB Lubricant Eye Drops Dry Eye Therapy
Non Spermicidal Sterile Lubricating Jelly
SMR000677948
SY003769
SY003770
CAS-25322-69-4
DB-013280
Lubricant Eye Drops Restorative Performance
PROPYLENE GLYCOL (SOLVENT) [VANDF]
1,2-Propanediol, ACS reagent, >=99.5%
1,2-Propanediol, ReagentPlus(R), >=99%
CS-0015917
E1520
NS00009085
P0485
S6258
EN300-21726
1,2-Propanediol, analytical reference material
1,2-Propanediol, tested according to Ph.Eur.
C00583
D00078
1,2-Propanediol, p.a., ACS reagent, 99.5%
1,2-Propanediol, SAJ first grade, >=99.0%
1,2-Propanediol, SAJ special grade, >=99.0%
1,2-Propanediol, Vetec(TM) reagent grade, 98%
Equate Lubricant Eye Drops Restorative Performance
Propylene Glycol, meets USP testing specifications
Q161495
J-502273
Walgreens Lubricant Eye Drops Restorative Performance
F1908-0071
Z106938868
1,2-Propanediol, puriss. p.a., ACS reagent, >=99.5% (GC)
Propylene glycol, British Pharmacopoeia (BP) Reference Standard
Propylene glycol, European Pharmacopoeia (EP) Reference Standard
Propylene glycol, United States Pharmacopeia (USP) Reference Standard
(R)-(-)-1,2-Propyleneglycol; (R)-(-)-Propylene glycerol; (R)-(-)-Propylene glycol
1,2-Propanediol, meets analytical specification of Ph. Eur., BP, USP, >=99.5%
Propylene glycol, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC namepropane-1,2-diol
SMILESCC(CO)O
InchiInChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
FormulaC3H8O2
PubChem ID1030
Molweight76.09
LogP-0.9
Atoms5
Bonds1
H-bond Acceptor2
H-bond Donor2
Chemical Classificationalcohols glycols diols
CHEBI-ID16997
Supernatural-IDSN0070308

mVOC Specific Details

Boiling Point
DegreeReference
187.6 °C peer reviewed
Volatilization
The Henry's Law constant for propylene glycol is estimated as 1.3X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.13 mm Hg(1), and assigned value for water solubility of 1X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that propylene glycol is expected to be essentially nonvolatile from water surfaces(3). Propylene glycol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989) (2) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds Extracted from the AQUASOL dATAbASE. Boca Raton, FL: CRC Press LLC, (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of propylene glycol is estimated as 1(SRC), using a log Kow of -0.92(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propylene glycol is expected to have very high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 7 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm as of Feb 12, 2010. (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.13 mm Hg at 25 deg C /Extrapolated/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus EpidermidisNALemfack et al. 2016
ProkaryotaStaphylococcus Epidermidisclinical isolate,catheterLemfack et al. 2016
ProkaryotaStaphylococcus Saccharolyticusclinical isolateLemfack et al. 2016
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaHanseniaspora UvarumNANAGe et al. 2021
EukaryotaSaccharomycopsis CrataegensisNANAGe et al. 2021
EukaryotaMetschnikowia PulcherrimaNANAGe et al. 2021
EukaryotaPichia KluyveriNANAGe et al. 2021
EukaryotaRhodosporidiobolus LusitaniaeNANAGe et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus Epidermidisbrain heart infusion mediumPorapak / GC/MSno
ProkaryotaStaphylococcus Saccharolyticusbrain heart infusion mediumPorapak / GC/MSno
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaHanseniaspora Uvarumgrape juiceLC-15C HPLCno
EukaryotaSaccharomycopsis Crataegensisgrape juiceLC-15C HPLCno
EukaryotaMetschnikowia Pulcherrimagrape juiceLC-15C HPLCno
EukaryotaPichia Kluyverigrape juiceLC-15C HPLCno
EukaryotaRhodosporidiobolus Lusitaniaegrape juiceLC-15C HPLCno