1,1,3,4,4,6-Hexamethyltetralin

HCID 102750
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Substructure searchFind similar structures

Basic information

CAS
2084-69-7
Standard SMILES
Cc1ccc2c(c1)C(C)(C)C(C)CC2(C)C
InChIKey
JIVANURAWUCQIG-UHFFFAOYSA-N
Molecular formula
C16H24
Average molar mass
216.36 g/mol
Monoisotopic mass
216.18780077

Names & identifiers

Preferred name
1,1,3,4,4,6-Hexamethyltetralin
IUPAC
1,1,2,4,4,7-hexamethyl-2,3-dihydronaphthalene
English name
1,2,3,4-tetrahydro-1,1,2,4,4,7-hexamethylnaphthalene
Molecular formula
C16H24
Molecular weight
216.36

Names & synonyms

1,1,3,4,4,6-hexamethyltetralinNaphthalene, 1,2,3,4-tetrahydro-1,1,2,4,4,7-hexamethyl-NXY1U0X89R1,2,3,4-Tetrahydro-1,1,2,4,4,7-hexamethylnaphthaleneEINECS 218-226-5UNII-NXY1U0X89R1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydronaphthaleneDTXSID40883793EC 218-226-5RefChem:196645DTXCID7010232802084-69-7
Show more names
HEXAMETHYLTETRALIN1,1,2,4,4,7-hexamethyl-1,2,3,4-tetrahydro-naphthalene
1,2,3,4-Tetrahydro-1,1,3,4,4,6-hexamethylnaphthaleneSCHEMBL4447680SCHEMBL4874095SCHEMBL313526431,1,2,4,4,7-Hexamethyl-1,2,3,4-tetrahydronaphthalene1,1,2,4,4,7-hexamethyltetralin1,1,3,4,4,6-hexamethyl tetralinNS00009214

Database identifiers

CAS
2084-69-7
PubChem CID
102750
DTXSID
DTXSID40883793
UNII
NXY1U0X89R
EC Number
218-226-5
Nikkaji
J20.995C

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
16

Physicochemical properties

Melting point
66 · 66-67 °C
Boiling point
80 °C · 80 °C(Press: 1 Torr)
Density
0.867 · 0.867±0.06 g/cm3(Predicted)
vapor pressure
0.4 Pa · 0.4Pa at 25℃
Henry's Law Constant
4.2 · 4.2×10-4 mol/(m3Pa) at 25℃, Zhang et al. (2010)
FDA UNII
1 U0X89R · NXY1U0X89R

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Naphthalene, 1,2,3,4-tetrahydro-1,1,2,4,4,7-hexamethyl-

Status: Active Update: 12-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/7692

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07,GHS09
Hazard statements
H302-H410
REACH Registrations
Active
Precautionary statements
P264-P270-P301+P312-P330-P501-P273-P391-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationNaphthalene, 1,2,3,4-tetrahydro-1,1,2,4,4,7-hexamethyl-: ACTIVE

Suppliers2 total

陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

Related reactions

8 records
New reaction record

Compound notes

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