3-Heptanol, 4-methyl-

Modify Date: 2025-09-18 17:55:26

3-Heptanol, 4-methyl- Structure
3-Heptanol, 4-methyl- structure
Common Name 3-Heptanol, 4-methyl-
CAS Number 14979-39-6 Molecular Weight 130.22800
Density 0.82 Boiling Point 98-99ºC (75 torr)
Molecular Formula C8H18O Melting Point -123°C
MSDS Chinese USA Flash Point 54ºC
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning

 Names

Name 4-methyl-3-heptanol
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.82
Boiling Point 98-99ºC (75 torr)
Melting Point -123°C
Molecular Formula C8H18O
Molecular Weight 130.22800
Flash Point 54ºC
Exact Mass 130.13600
PSA 20.23000
LogP 2.19350
Vapour Pressure 0.927mmHg at 25°C
Index of Refraction n20/D 1.43(lit.)
InChIKey BKQICAFAUMRYLZ-UHFFFAOYSA-N
SMILES CCCC(C)C(O)CC
Storage condition Flammables area
Water Solubility Soluble in ethanol, ether, acetone. Slightly soluble in water.

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ4600000
CHEMICAL NAME :
3-Heptanol, 4-methyl-
CAS REGISTRY NUMBER :
14979-39-6
BEILSTEIN REFERENCE NO. :
1733008
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H18-O
MOLECULAR WEIGHT :
130.26
WISWESSER LINE NOTATION :
QY2&Y3&1

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 :
180 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#03236

 Safety Information

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning
Hazard Statements H226-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi
Risk Phrases R10
Safety Phrases S16
RIDADR UN 1987 3/PG 3
WGK Germany 3
RTECS MJ4600000
Packaging Group III
HS Code 2905199090

 Customs

HS Code 2905199090
Summary 2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

 Synonyms

4-Methyl-3-Heptanol,Erythro + Threo
EINECS 239-058-9
4-methylheptan-3-ol
MFCD00004568
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