3,7-Dimethyl-1-octanol - CAS 106-21-8

Catalog:	BB001833
Product Name:	3,7-Dimethyl-1-octanol
CAS:	106-21-8
Synonyms:	3,7-dimethyloctan-1-ol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3,7-dimethyloctan-1-ol
Description:	3,7-Dimethyl-1-octanol (CAS# 106-21-8) is a useful organic reactant/reagent.
Molecular Weight:	158.28
Molecular Formula:	C10H22O
Canonical SMILES:	CC(C)CCCC(C)CCO
InChI:	InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3
InChI Key:	PRNCMAKCNVRZFX-UHFFFAOYSA-N
Boiling Point:	98 ℃ (9 torr)
Flash Point:	95°C
Purity:	95 %
Density:	0.824 g/cm³
Solubility:	water, 175.4 mg/L @ 25 °C (est)
Appearance:	Clear colorless liquid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00002936
LogP:	2.83120
Refractive Index:	n20/D 1.436(lit.)

Publication Number	Title	Priority Date
CN-113354883-A	Recycling method of retired silicone rubber composite insulator	20210630
CN-113318158-A	A topical composition for treating rhinitis and preparation method thereof	20210521
CN-112980576-A	Floral-scented fruit-flavored essence and preparation method and application thereof	20210302
CN-112898162-A	Synthesis method of hydrogenated citral tertiary amine	20210122
KR-102242940-B1	Method for preparing a non-reducing cleaning composition containing vegetable extracts and a non-reducing cleaning composition prepared thereby	20210119

PMID	Publication Date	Title	Journal
26697994	20160125	Structural parameters, molecular properties, and biological evaluation of some terpenes targeting Schistosoma mansoni parasite	Chemico-biological interactions
21959804	20111001	Preparation and evaluation of 5, 9-dimethyl-2-cyclopropyl-2-decanol as a penetration enhancer for drugs through rat skin	Pakistan journal of pharmaceutical sciences
22272147	20110101	Volatile compounds in honey: a review on their involvement in aroma, botanical origin determination and potential biomedical activities	International journal of molecular sciences
19132702	20090101	Zr-zeolite beta: a new heterogeneous catalyst system for the highly selective cascade transformation of citral to (+/-)-menthol	Chemistry (Weinheim an der Bergstrasse, Germany)
18640235	20081101	Fragrance material review on 3,7-dimethyl-1-octanol	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association

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Related Functional Groups

Oxygen Compounds

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, and P501
Signal Word:	Warning

Complexity:	78.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.167065321
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	158.167065321
Rotatable Bond Count:	6
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6