Musk xylene Structure

Musk xylene

Chemical Properties

Melting point 235.4°C
Boiling point 438.78°C (rough estimate)
Density  1.3226 (rough estimate)
refractive index  1.5290 (estimate)
Flash point 2 °C
storage temp.  2-8°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly)
form  Solid
color  White to Pale Yellow
Odor at 10.00 % in benzyl benzoate. fatty dry sweet soapy musk
Odor Type musk
BRN  2015910
Henry's Law Constant 3.2×10-1 mol/(m3Pa) at 25℃, Lee et al. (2012)
Major Application environmental
Cosmetics Ingredients Functions FRAGRANCE
PERFUMING
InChI 1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
InChIKey XMWRWTSZNLOZFN-UHFFFAOYSA-N
SMILES Cc1c(c(C)c(c(c1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O
LogP 4.369 (est)
Substances of Very High Concern (SVHC) Candidate List 5-tert-butyl-2,4,6-trinitro-m-xylene (Musk xylene) (81-15-2)
CAS DataBase Reference 81-15-2(CAS DataBase Reference)
EWG's Food Scores 4-5
FDA UNII 1ZAO16GU5K
IARC 3 (Vol. 65) 1996
NIST Chemistry Reference 2,4,6-Trinitro-1,3-dimethyl-5-t-butylbenzene(81-15-2)
EPA Substance Registry System 2,4,6-Trinitro-5-tert-butyl-m-xylene (81-15-2)
UNSPSC Code 85151701
NACRES NA.24

Safety

Symbol(GHS) Exploding Bomb (GHS01)Health Hazard (GHS08)Environment (GHS09)
Signal wordWarning
Hazard statements H201-H351-H410
Precautionary statements P210-P230-P234-P240-P250-P280-P201-P202-P273-P308+P313-P391-P401-P405-P501
Hazard Codes  E,Xn,N,F
Risk Statements  2-40-50/53-36-20/21/22-11
Safety Statements  36/37-46-60-61-16
RIDADR  UN 2956
WGK Germany  2
TSCA  TSCA listed
HazardClass  4.1
PackingGroup  III
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
Hazardous Substances Data 81-15-2(Hazardous Substances Data)
Toxicity The acute oral LD50 in rats was reported as >10 g/kg and the acute dermal LD50 in rabbits as > 15 g/kg (Fogleman, 1970).

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