3-Methyl-1,5-pentanediol

Modify Date: 2025-08-27 15:50:10

3-Methyl-1,5-pentanediol Structure
3-Methyl-1,5-pentanediol structure
 Common Name 3-Methyl-1,5-pentanediol
CAS Number 4457-71-0 Molecular Weight 118.17400
Density 0.974 g/mL at 20 °C(lit.) Boiling Point 150 °C / 25mmHg
Molecular Formula C6H14O2 Melting Point N/A
MSDS Chinese USA Flash Point 143°C

 Names

Name 3-Methyl-1,5-pentanediol
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.974 g/mL at 20 °C(lit.)
Boiling Point 150 °C / 25mmHg
Molecular Formula C6H14O2
Molecular Weight 118.17400
Flash Point 143°C
Exact Mass 118.09900
PSA 40.46000
LogP 0.38730
Index of Refraction n20/D 1.454
InChIKey SXFJDZNJHVPHPH-UHFFFAOYSA-N
SMILES CC(CCO)CCO

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA0800000
CHEMICAL NAME :
1,5-Pentanediol, 3-methyl-
CAS REGISTRY NUMBER :
4457-71-0
BEILSTEIN REFERENCE NO. :
1697331
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H14-O2
MOLECULAR WEIGHT :
118.20
WISWESSER LINE NOTATION :
Q2Y1&2Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01094

 Safety Information

Personal Protective Equipment Eyeshields;Gloves
Safety Phrases S23-S24/25
RIDADR 1987
WGK Germany 1
RTECS SA0800000
HS Code 2905399090

 Synthetic Route

 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%

 Synonyms

1,5-Dihydroxy-3-methylpentane
3-methylpentane-1,5-diol
EINECS 224-709-1
MFCD00039547
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