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2,2-Dimethyl-3-pentanol

2,2-Dimethyl-3-pentanol structure

CAS No:
3970-62-5
Formula:
C7H16O
Chemical Name:
2,2-Dimethyl-3-pentanol
Synonyms:
3-Pentanol,2,2-dimethyl-;2,2-Dimethyl-3-pentanol;(±)-2,2-Dimethyl-3-pentanol;NSC 42943;148151-70-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless liquid

2,2-Dimethyl-3-pentanol Basic Attributes

Molecular Weight：

116.20100

Exact Mass：

116.20

EC Number：

223-592-4

NSC Number：

42943

DSSTox ID：

DTXSID0032813

HScode：

29051900

Characteristics

PSA：

20.23000

XLogP3：

1.80340

Appearance：

clear colorless liquid

Density：

0.82462 g/cm³ @ Temp: 20 °C

Melting Point：

-5 °C

Boiling Point：

135 °C

Flash Point：

99 °F

Refractive Index：

n20/D 1.425(lit.)

Water Solubility：

8.13g/L(25 ºC)

Storage Conditions：

Flammables area

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1987 3/PG 3

wgk germany：

hazard class code：

R10

safety instructions：

S16-S26-S39-S36/37/39

Marks：

Xn: Harmful;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:116.20
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:116.120115130
Monoisotopic Mass:116.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:61.3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes