2,6-Diisopropylnaphthalene

HCID 32241
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Basic information

CAS
24157-81-1
Standard SMILES
CC(C)c1ccc2cc(C(C)C)ccc2c1
InChIKey
GWLLTEXUIOFAFE-UHFFFAOYSA-N
Molecular formula
C16H20
Average molar mass
212.33 g/mol
Monoisotopic mass
212.15650064

Names & identifiers

Preferred name
2,6-Diisopropylnaphthalene
IUPAC
2,6-di(propan-2-yl)naphthalene
English name
2,6-DIISOPROPYLNAPHTHALENE
Molecular formula
C16H20
Molecular weight
212.33

Names & synonyms

2,6-DIISOPROPYLNAPHTHALENE24157-81-1Naphthalene, 2,6-bis(1-methylethyl)-2,6-DIPN2,6-Bis(1-methylethyl)naphthaleneNaphthalene, 2,6-diisopropyl-DTXSID70352721X71YEU9QBNSC-166467DTXCID5015272CHEBI:1456692,6-disopropylnaphtalene
Show more names
2,6-DIISOPRYLNAPHTHALENE2,6-diisopropyl naphtalene2,6-Diisopropylnaphthalene>2,6-Diisopropylnaphthalene,99%2,6-bis(1-methylethyl)-naphthalen2,6-BIS(1-METHYLETHYL)-NAPHTHALENE
RefChem:83260246-045-12,6-di(propan-2-yl)naphthalene2,6-Di-iso-propylnaphthaleneMFCD00021648EINECS 246-045-1UNII-1X71YEU9QBEPA Pesticide Chemical Code 055803

Database identifiers

CAS
24157-81-1
PubChem CID
32241
DTXSID
DTXSID7035272
ChEMBL
CHEMBL3182870
ChEBI
CHEBI:145669
UNII
1X71YEU9QB
EC Number
246-045-1
Nikkaji
J208.381G

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
16

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1704；1716.8；1728；1728；1728；1735.5；1716.8；1728；1728；1728；1735.5；1727；1733；1728；1735；1725

2214；2242

Physicochemical properties

Melting point
67 · 67-70 °C
Boiling point
279.3 °C · 279.3 °C
Density
0.956 · 0.9560 (estimate)
vapor pressure
0.08 Pa · 0.08Pa at 25℃
refractive index
1.5774 · 1.5774 (estimate)
RTECS
1536000 · QJ1536000

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 6.5% (3 of 46) of reports.

Warning

H302 (84.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H400 (84.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (93.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 46 reports by companies.；There are 3 notifications provided by 43 of 46 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Active Update: 19-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24684
Hazard Classes and CategoriesAcute Tox. 4 (84.8%)；Aquatic Acute 1 (84.8%)；Aquatic Chronic 1 (93.5%)

Regulatory information

Regulatory InformationStatus: Active Update: 19-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24684

Safety data

wgk
WGK 3
tsca
TSCA listed
ridadr
3077
hs_code
29029090
risk_code
22-50/53
Signal word
Warning

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

General Manufacturing InformationNaphthalene, 2,6-bis(1-methylethyl)-: ACTIVE
Applications · 3 items

DescriptionA synthetic plant growth regulator used mainly on stored potatoes rather than in the open environment. Available data is limited. It is moderately soluble in water, has a low mammalian acute oral toxicity and not expected to cause serious, long-term negative health effects. It has a low to moderate toxicity to aquatic species.

Uses2,6-Diisopropylnaphthalene, is a building block used for the synthesis of more complex compounds. 2,6-Diisopropylnaphthalene (2,6-DIPM) is also used in the manufacturing of pesticide products intended to prevent sprouting of stored potatoes.

General DescriptionClear yellowish brown liquid with a faint sweet odor.

Upstream & downstream products

Suppliers79 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北蝶化新材料科技有限公司86-18372897-544 18995560451
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 2,6-diisopropylnaphthalene is a member of the class of napthalenes that is naphthalene which is substituted by an isopropyl group at positions 2 and 6. It is a plant growth regulator which inhibits the sprouting of potatoes during storage. It has a role as a plant growth retardant and an agrochemical.

Related reactions

5 records
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Compound notes

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