2-Pentylpropane-1,3-diol

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Names

[ CAS No. ]:
25462-23-1

[ Name ]:
2-Pentylpropane-1,3-diol

[Synonym ]:
2-n-Pentylpropane-1,3-diol
2-Pentylpropane-1,3-diol
1,1-BIS(HYDROXYMETHYL)HEXANE
2-n-Pentyl-propan-1,3-diol
2-N-AMYLPROPANE-1,3-DIOL
2-pentyl-1,3-propanediol
2-pentyl-3-propanediol
pentyl-2 propanediol-1,3
2-n-pentyl-1,3-propanediol
MFCD00801123

Chemical & Physical Properties

[ Density]:
0.937g/cm3

[ Boiling Point ]:
255.8ºC at 760mmHg

[ Molecular Formula ]:
C8H18O2

[ Molecular Weight ]:
146.22700

[ Flash Point ]:
117.3ºC

[ Exact Mass ]:
146.13100

[ PSA ]:
40.46000

[ LogP ]:
1.16750

[ Vapour Pressure ]:
0.00242mmHg at 25°C

[ Index of Refraction ]:
1.452

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ0980000
CHEMICAL NAME :
1,3-Propanediol, 2-pentyl-
CAS REGISTRY NUMBER :
25462-23-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H18-O2
MOLECULAR WEIGHT :
146.26
WISWESSER LINE NOTATION :
Q1Y5&1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
360 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 12,462,1969

Safety Information

[ Risk Phrases ]:
R20/21

[ Safety Phrases ]:
23-36/37/39

[ HS Code ]:
2905399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Propanedioic acid,2-pentyl-, 1,3-diethyl ester
  • Formaldehyde
  • Heptanal
  • Diethyl malonate
  • (E)-1-Acetoxy-2-(acetoxymethyl)-3-cyclohexylidenepropane
  • 1-Bromopentane
  • 2-(cyclohexylmethyl)propane-1,3-diyl diacetate
  • 1,5-Dibromopentane
  • DIETHYL (5-BROMOPENTYL)MALONATE

DownStream

  • 3-Pentylcyclobutanecarboxylic acid
  • 4-(5-pentyl-1,3-dioxan-2-yl)benzoic acid
  • 1-bromo-2-(bromomethyl)heptane
  • 2-pentylpropane-1,3-dithiol

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%

Related Compounds

  • 2-ethyl-2-pentylpropane-1,3-diol
  • 2-methyl-2-pentylpropane-1,3-diol
  • 2-pentylpropane-1,3-dithiol
  • 2-pentylpropane-1,3-diyl bis(4-methylbenzenesulfonate)
  • 2-ethylbenzene-1,3-diol
  • 2-methylidenebutane-1,3-diol
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • N-((5-(thiophen-2-yl)isoxazol-3-yl)methyl)-2-(trifluoromethyl)benzamide
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • N-allyl-2-(2-((4-chlorobenzyl)thio)thiazol-4-yl)acetamide
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 4-Chloro-1-((3-methoxyphenoxy)methyl)-1H-pyrazole-3-carboxylic acid
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde